changeset 8:06ea4e040d45 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 71a3084d6e402b31563b1662bb629d5a959ce7b7"
author chemteam
date Wed, 15 Apr 2020 14:35:17 -0400
parents 8ddd75c21cbd
children d1d0efda35c0
files merge_top.py merge_top.xml test-data/complex.gro test-data/complex.top test-data/lig.gro test-data/lig.itp test-data/top_output.top
diffstat 7 files changed, 21161 insertions(+), 19466 deletions(-) [+]
line wrap: on
line diff
--- a/merge_top.py	Tue Jan 21 07:30:45 2020 -0500
+++ b/merge_top.py	Wed Apr 15 14:35:17 2020 -0400
@@ -1,38 +1,65 @@
-import re
-import sys
+import argparse
+
+import parmed as pmd
 
 
-def combine_tops(top_text, itp_texts):
-    """
-    Search through parent topology top_text and replace
-    #include lines with the relevant child topologies
-    from the dictionary itp_texts
-    """
-    for itp in itp_texts:
-        # split on include string, then rejoin around itp file
-        spl = re.split('#include ".*{}"\n'.format(itp), top_text)
-        top_text = itp_texts[itp].join(spl)
-    return top_text
+def merge_gro_files(prot_gro, lig_gro, cmplx_gro):
+    prot = pmd.load_file(prot_gro)
+    lig = pmd.load_file(lig_gro)
+    cmplx = prot + lig
+    cmplx.save(cmplx_gro)
 
 
-top = sys.argv[1]  # parent topology file
-itps_file = sys.argv[2]  # file with list of child topologies (.itp files)
+def merge_top_files(prot_top, lig_top, cmplx_top):
+    with open(lig_top, 'r') as f:
+        lig_top_sections = f.read().split('\n[')
 
-with open(itps_file) as f:
-    itps = f.read().split()
-
-with open(top, 'r') as f:
-    top_text = f.read()
+    # open ligand topology
+    for n in range(len(lig_top_sections)):
+        if 'atomtypes' in lig_top_sections[n][:10]:
+            lig_atomtypes = lig_top_sections[n]
+            del lig_top_sections[n]
+            break
+    else:
+        lig_atomtypes = None
+    lig_top_updated = '\n['.join(lig_top_sections)
 
-itp_texts = {}  # create dictionary of child topologies
-for itp in itps:
-    with open(itp, 'r') as f:
-        itp_texts[itp] = f.read()
+    # open protein topology
+    with open(prot_top, 'r') as f:
+        prot_top_combined = f.read()
+    if lig_atomtypes:
+        prot_top_sections = prot_top_combined.split('[ moleculetype ]\n')
+        prot_top_combined = (prot_top_sections[0] +
+                             '; Include ligand atomtypes\n[' +
+                             lig_atomtypes +
+                             '\n[ moleculetype ]\n' +
+                             prot_top_sections[1])
+    prot_top_sections = prot_top_combined.split('; Include water topology')
+    prot_top_combined = (prot_top_sections[0] +
+                         '; Include ligand topology\n' +
+                         lig_top_updated +
+                         '\n; Include water topology' +
+                         prot_top_sections[1])
+    prot_top_combined += 'base     1\n'
 
-for itp in itp_texts:
-    # child tops may also refer to each other; we need to check this
-    itp_texts[itp] = combine_tops(itp_texts[itp], itp_texts)
+    # save complex topology
+    with open(cmplx_top, 'w') as f:
+        f.write(prot_top_combined)
+
 
-with open('top_output.top', 'w') as f:
-    # now combine all children into the parent
-    f.write(combine_tops(top_text, itp_texts))
+def main():
+    parser = argparse.ArgumentParser(
+        description='Perform SMD runs for dynamic undocking')
+    parser.add_argument('--lig-top', help='Ligand TOP file.')
+    parser.add_argument('--prot-top', help='Protein TOP file.')
+    parser.add_argument('--lig-gro', help='Ligand GRO file.')
+    parser.add_argument('--prot-gro', help='Protein GRO file.')
+    parser.add_argument('--complex-top', help='Complex TOP file.')
+    parser.add_argument('--complex-gro', help='Complex GRO file.')
+    args = parser.parse_args()
+    merge_gro_files(args.prot_gro, args.lig_gro, args.complex_gro)
+    merge_top_files(args.prot_top, args.lig_top, args.complex_top)
+
+
+if __name__ == "__main__":
+    main()
--- a/merge_top.xml	Tue Jan 21 07:30:45 2020 -0500
+++ b/merge_top.xml	Wed Apr 15 14:35:17 2020 -0400
@@ -1,29 +1,38 @@
 <tool id="gmx_merge_topology_files" name="Merge GROMACS topologies" version="@VERSION@">
-    <description>for example, for protein and ligand files</description>
+    <description>and GRO files</description>
     <macros>
-        <import>macros.xml</import>
+        <token name="@VERSION@">3.2.0</token>
     </macros>
+    <requirements>
+        <requirement type="package" version="@VERSION@">parmed</requirement>
+    </requirements>
     <command detect_errors="exit_code"><![CDATA[
-        ln -s '$top_input' ./top_input.top &&
-        #for $itp_input in $itp_inputs
-            ln -s '$itp_input' ./$itp_input.element_identifier &&
-            echo '$itp_input.element_identifier' >> ./itps.txt &&
-        #end for
-
-        python '$__tool_directory__/merge_top.py' top_input.top itps.txt
+        python '$__tool_directory__/merge_top.py' 
+            --lig-top $lig_top
+            --prot-top $prot_top
+            --lig-gro $lig_gro
+            --prot-gro $prot_gro
+            --complex-top complex.top
+            --complex-gro complex.gro
     ]]></command>
     <inputs>
-        <param name="top_input" type="data" format='top' label="Topology (TOP) file" help="'Master' topology into which subordinate topologies will be added."/>
-        <param name="itp_inputs" type="data" format='top,itp' multiple="true" label="Topologies (TOP or ITP)" help="One or more topologies for insertion into the main topology. Either TOP or ITP format. Can include position restraint files."/>
+        <param name="prot_top" type="data" format='top' label="Protein topology (TOP) file" help="Protein topology into which a ligand topology will be added."/>
+        <param name="lig_top" type="data" format='top,itp' label="Ligand topology (TOP or ITP) file" help="Ligand topology for insertion into the protein topology. Either TOP or ITP format."/>
+        <param name="prot_gro" type="data" format='gro' label="Protein structure (GRO) file" help="Protein structure in GRO format."/>
+        <param name="lig_gro" type="data" format='gro' label="Ligand structure (GRO) file" help="Ligand structure in GRO format."/>
     </inputs>
     <outputs>
-        <data name="output" format="top" from_work_dir="top_output.top"/>
+        <data name="complex_top" format="top" from_work_dir="complex.top"/>
+        <data name="complex_gro" format="gro" from_work_dir="complex.gro"/>
     </outputs>
     <tests>
         <test>
-            <param name="top_input" value="topol.top" />
-            <param name="itp_inputs" value="posres.itp" />
-            <output name="output" file="top_output.top" ftype="top" />
+            <param name="prot_top" value="topol.top" />
+            <param name="lig_top" value="lig.itp" />
+            <param name="prot_gro" value="newbox.gro" />
+            <param name="lig_gro" value="lig.gro" />
+            <output name="complex_top" file="complex.top" ftype="top" compare="diff" lines_diff="20"/>
+            <output name="complex_gro" file="complex.gro" ftype="gro"/>
         </test>
     </tests>
     <help><![CDATA[
@@ -32,7 +41,9 @@
 
 **What it does**
 
-This tool merges GROMACS topologies - for example, the topology files for a ligand and protein. TOP files contain references to other subordinate TOP files using the `#include` tag. In Galaxy, these tags need to be replaced directly with the contents of the topology files they refer to.
+This tool merges GROMACS topologies and structure (GRO) files, calculated separately for a protein and ligand, into combined topology and GRO files for the resulting complex.
+
+The tool will work best if used with the outputs of the 'acpype' and 'GROMACS initial setup' tools. If the input files are formatted unusually or incorrectly, it will probably fail.
 
 _____
 
@@ -40,8 +51,10 @@
 
 **Input**
 
-       - TOP file for the main topology
-       - One or more subordinate topologies (TOP or ITP) which can be inserted into the main topology if specified by an `#include` tag.
+       - TOP file for the protein topology
+       - A TOP or ITP file for the ligand topology
+       - GRO file for the protein structure
+       - GRO file for the ligand structure
 
 _____
 
@@ -50,8 +63,20 @@
 
 **Output**
 
-       - TOP file.
+       - TOP file for the protein-ligand complex.
+       - GRO file for the protein-ligand complex.
 
     ]]></help>
-    <expand macro="citations" />
+    <citations>
+        <citation type="bibtex">
+@misc{parmed_2020,
+author = {Jason Swails and other contributors},
+title = {ParmEd},
+url={https://github.com/ParmEd/ParmEd},
+abstract = {Parameter/topology editor and molecular simulator.},
+urldate = {2020-04-03},
+publisher = {GitHub},
+year = {2020},
+month = mar, }</citation>
+    </citations>
 </tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/complex.gro	Wed Apr 15 14:35:17 2020 -0400
@@ -0,0 +1,2218 @@
+GROningen MAchine for Chemical Simulation
+ 2215
+    1LYS      N    1   4.434   3.396   2.469
+    1LYS     H1    2   4.510   3.450   2.431
+    1LYS     H2    3   4.368   3.376   2.397
+    1LYS     H3    4   4.390   3.448   2.542
+    1LYS     CA    5   4.487   3.269   2.524
+    1LYS     HA    6   4.531   3.217   2.451
+    1LYS     CB    7   4.585   3.306   2.636
+    1LYS    HB1    8   4.661   3.357   2.597
+    1LYS    HB2    9   4.537   3.363   2.703
+    1LYS     CG   10   4.643   3.187   2.711
+    1LYS    HG1   11   4.574   3.151   2.773
+    1LYS    HG2   12   4.668   3.116   2.644
+    1LYS     CD   13   4.767   3.227   2.790
+    1LYS    HD1   14   4.843   3.245   2.727
+    1LYS    HD2   15   4.747   3.309   2.843
+    1LYS     CE   16   4.804   3.113   2.883
+    1LYS    HE1   17   4.739   3.108   2.959
+    1LYS    HE2   18   4.804   3.026   2.834
+    1LYS     NZ   19   4.940   3.139   2.937
+    1LYS    HZ1   20   4.967   3.065   2.999
+    1LYS    HZ2   21   5.006   3.144   2.861
+    1LYS    HZ3   22   4.940   3.226   2.987
+    1LYS      C   23   4.372   3.188   2.583
+    1LYS      O   24   4.293   3.243   2.659
+    2VAL      N   25   4.372   3.058   2.563
+    2VAL      H   26   4.434   3.022   2.493
+    2VAL     CA   27   4.288   2.962   2.634
+    2VAL     HA   28   4.215   3.014   2.677
+    2VAL     CB   29   4.212   2.865   2.544
+    2VAL     HB   30   4.284   2.814   2.497
+    2VAL    CG1   31   4.123   2.770   2.624
+    2VAL   HG11   32   4.075   2.709   2.561
+    2VAL   HG12   33   4.180   2.717   2.686
+    2VAL   HG13   34   4.056   2.823   2.676
+    2VAL    CG2   35   4.127   2.933   2.438
+    2VAL   HG21   36   4.081   2.864   2.383
+    2VAL   HG22   37   4.060   2.992   2.482
+    2VAL   HG23   38   4.186   2.989   2.379
+    2VAL      C   39   4.378   2.893   2.738
+    2VAL      O   40   4.474   2.823   2.701
+    3PHE      N   41   4.347   2.917   2.863
+    3PHE      H   42   4.273   2.981   2.883
+    3PHE     CA   43   4.417   2.852   2.975
+    3PHE     HA   44   4.513   2.859   2.950
+    3PHE     CB   45   4.395   2.925   3.108
+    3PHE    HB1   46   4.303   2.964   3.109
+    3PHE    HB2   47   4.404   2.860   3.183
+    3PHE     CG   48   4.492   3.036   3.129
+    3PHE    CD1   49   4.465   3.167   3.087
+    3PHE    HD1   50   4.379   3.187   3.040
+    3PHE    CD2   51   4.598   3.018   3.220
+    3PHE    HD2   52   4.611   2.928   3.262
+    3PHE    CE1   53   4.556   3.270   3.110
+    3PHE    HE1   54   4.546   3.357   3.063
+    3PHE    CE2   55   4.685   3.121   3.251
+    3PHE    HE2   56   4.764   3.104   3.310
+    3PHE     CZ   57   4.662   3.249   3.200
+    3PHE     HZ   58   4.720   3.326   3.228
+    3PHE      C   59   4.372   2.706   2.990
+    3PHE      O   60   4.250   2.678   2.981
+    4GLY      N   61   4.470   2.626   3.034
+    4GLY      H   62   4.565   2.657   3.035
+    4GLY     CA   63   4.435   2.490   3.080
+    4GLY    HA1   64   4.360   2.454   3.024
+    4GLY    HA2   65   4.514   2.430   3.073
+    4GLY      C   66   4.390   2.504   3.225
+    4GLY      O   67   4.428   2.602   3.289
+    5ARG      N   68   4.303   2.416   3.270
+    5ARG      H   69   4.269   2.346   3.207
+    5ARG     CA   70   4.254   2.416   3.408
+    5ARG     HA   71   4.196   2.496   3.415
+    5ARG     CB   72   4.174   2.288   3.434
+    5ARG    HB1   73   4.098   2.284   3.370
+    5ARG    HB2   74   4.234   2.209   3.420
+    5ARG     CG   75   4.119   2.282   3.575
+    5ARG    HG1   76   4.195   2.279   3.640
+    5ARG    HG2   77   4.063   2.363   3.592
+    5ARG     CD   78   4.036   2.162   3.595
+    5ARG    HD1   79   4.002   2.161   3.689
+    5ARG    HD2   80   3.958   2.167   3.532
+    5ARG     NE   81   4.104   2.037   3.571
+    5ARG     HE   82   4.100   2.002   3.478
+    5ARG     CZ   83   4.171   1.963   3.657
+    5ARG    NH1   84   4.182   1.995   3.786
+    5ARG   HH11   85   4.137   2.078   3.820
+    5ARG   HH12   86   4.234   1.937   3.848
+    5ARG    NH2   87   4.223   1.846   3.614
+    5ARG   HH21   88   4.209   1.817   3.520
+    5ARG   HH22   89   4.274   1.788   3.677
+    5ARG      C   90   4.365   2.435   3.511
+    5ARG      O   91   4.365   2.527   3.597
+    6CYS      N   92   4.465   2.347   3.506
+    6CYS      H   93   4.465   2.278   3.434
+    6CYS     CA   94   4.576   2.349   3.602
+    6CYS     HA   95   4.529   2.364   3.689
+    6CYS     CB   96   4.647   2.215   3.605
+    6CYS    HB1   97   4.668   2.196   3.509
+    6CYS    HB2   98   4.732   2.234   3.654
+    6CYS     SG   99   4.552   2.082   3.681
+    6CYS      C  100   4.673   2.467   3.589
+    6CYS      O  101   4.713   2.523   3.693
+    7GLU      N  102   4.684   2.510   3.465
+    7GLU      H  103   4.638   2.462   3.391
+    7GLU     CA  104   4.766   2.631   3.436
+    7GLU     HA  105   4.858   2.617   3.474
+    7GLU     CB  106   4.776   2.647   3.285
+    7GLU    HB1  107   4.821   2.564   3.250
+    7GLU    HB2  108   4.683   2.651   3.250
+    7GLU     CG  109   4.852   2.767   3.229
+    7GLU    HG1  110   4.811   2.849   3.268
+    7GLU    HG2  111   4.947   2.760   3.260
+    7GLU     CD  112   4.856   2.786   3.080
+    7GLU    OE1  113   4.765   2.726   3.018
+    7GLU    OE2  114   4.940   2.857   3.029
+    7GLU      C  115   4.703   2.755   3.501
+    7GLU      O  116   4.772   2.835   3.566
+    8LEU      N  117   4.572   2.767   3.485
+    8LEU      H  118   4.524   2.697   3.432
+    8LEU     CA  119   4.494   2.878   3.542
+    8LEU     HA  120   4.538   2.963   3.511
+    8LEU     CB  121   4.351   2.879   3.486
+    8LEU    HB1  122   4.355   2.884   3.386
+    8LEU    HB2  123   4.304   2.795   3.514
+    8LEU     CG  124   4.270   2.997   3.536
+    8LEU     HG  125   4.276   3.004   3.636
+    8LEU    CD1  126   4.328   3.128   3.483
+    8LEU   HD11  127   4.274   3.205   3.517
+    8LEU   HD12  128   4.422   3.137   3.514
+    8LEU   HD13  129   4.325   3.127   3.383
+    8LEU    CD2  130   4.123   2.976   3.507
+    8LEU   HD21  131   4.070   3.055   3.541
+    8LEU   HD22  132   4.109   2.967   3.409
+    8LEU   HD23  133   4.091   2.893   3.553
+    8LEU      C  134   4.503   2.875   3.694
+    8LEU      O  135   4.514   2.979   3.759
+    9ALA      N  136   4.473   2.760   3.750
+    9ALA      H  137   4.444   2.684   3.691
+    9ALA     CA  138   4.482   2.738   3.895
+    9ALA     HA  139   4.406   2.788   3.936
+    9ALA     CB  140   4.464   2.591   3.929
+    9ALA    HB1  141   4.470   2.578   4.028
+    9ALA    HB2  142   4.374   2.560   3.897
+    9ALA    HB3  143   4.535   2.537   3.885
+    9ALA      C  144   4.612   2.793   3.951
+    9ALA      O  145   4.613   2.860   4.057
+   10ALA      N  146   4.725   2.760   3.887
+   10ALA      H  147   4.718   2.701   3.807
+   10ALA     CA  148   4.859   2.805   3.929
+   10ALA     HA  149   4.867   2.781   4.025
+   10ALA     CB  150   4.969   2.733   3.851
+   10ALA    HB1  151   5.058   2.765   3.882
+   10ALA    HB2  152   4.962   2.634   3.868
+   10ALA    HB3  153   4.958   2.751   3.753
+   10ALA      C  154   4.872   2.956   3.913
+   10ALA      O  155   4.917   3.012   4.014
+   11ALA      N  156   4.821   3.014   3.806
+   11ALA      H  157   4.779   2.957   3.734
+   11ALA     CA  158   4.824   3.160   3.789
+   11ALA     HA  159   4.921   3.185   3.800
+   11ALA     CB  160   4.785   3.204   3.649
+   11ALA    HB1  161   4.789   3.304   3.643
+   11ALA    HB2  162   4.848   3.164   3.583
+   11ALA    HB3  163   4.692   3.173   3.630
+   11ALA      C  164   4.747   3.232   3.899
+   11ALA      O  165   4.793   3.328   3.962
+   12MET      N  166   4.627   3.183   3.926
+   12MET      H  167   4.595   3.104   3.874
+   12MET     CA  168   4.538   3.240   4.028
+   12MET     HA  169   4.532   3.337   4.006
+   12MET     CB  170   4.397   3.183   4.019
+   12MET    HB1  171   4.402   3.083   4.015
+   12MET    HB2  172   4.344   3.212   4.098
+   12MET     CG  173   4.330   3.234   3.894
+   12MET    HG1  174   4.330   3.334   3.900
+   12MET    HG2  175   4.388   3.206   3.817
+   12MET     SD  176   4.161   3.161   3.890
+   12MET     CE  177   4.077   3.276   3.781
+   12MET    HE1  178   3.982   3.247   3.770
+   12MET    HE2  179   4.080   3.367   3.820
+   12MET    HE3  180   4.122   3.276   3.692
+   12MET      C  181   4.597   3.234   4.168
+   12MET      O  182   4.589   3.326   4.251
+   13LYS      N  183   4.667   3.125   4.198
+   13LYS      H  184   4.672   3.053   4.129
+   13LYS     CA  185   4.737   3.101   4.325
+   13LYS     HA  186   4.673   3.108   4.402
+   13LYS     CB  187   4.791   2.957   4.324
+   13LYS    HB1  188   4.714   2.894   4.317
+   13LYS    HB2  189   4.850   2.947   4.244
+   13LYS     CG  190   4.872   2.917   4.447
+   13LYS    HG1  191   4.949   2.861   4.417
+   13LYS    HG2  192   4.907   3.001   4.490
+   13LYS     CD  193   4.795   2.840   4.550
+   13LYS    HD1  194   4.820   2.873   4.641
+   13LYS    HD2  195   4.697   2.853   4.535
+   13LYS     CE  196   4.827   2.693   4.542
+   13LYS    HE1  197   4.866   2.672   4.452
+   13LYS    HE2  198   4.894   2.669   4.613
+   13LYS     NZ  199   4.706   2.608   4.562
+   13LYS    HZ1  200   4.731   2.512   4.555
+   13LYS    HZ2  201   4.666   2.627   4.652
+   13LYS    HZ3  202   4.638   2.630   4.491
+   13LYS      C  203   4.844   3.209   4.340
+   13LYS      O  204   4.849   3.276   4.445
+   14ARG      N  205   4.925   3.225   4.236
+   14ARG      H  206   4.909   3.171   4.153
+   14ARG     CA  207   5.037   3.320   4.238
+   14ARG     HA  208   5.087   3.297   4.322
+   14ARG     CB  209   5.137   3.297   4.127
+   14ARG    HB1  210   5.226   3.324   4.162
+   14ARG    HB2  211   5.137   3.199   4.107
+   14ARG     CG  212   5.115   3.370   3.996
+   14ARG    HG1  213   5.043   3.324   3.944
+   14ARG    HG2  214   5.088   3.464   4.014
+   14ARG     CD  215   5.242   3.369   3.916
+   14ARG    HD1  216   5.234   3.431   3.838
+   14ARG    HD2  217   5.319   3.399   3.973
+   14ARG     NE  218   5.267   3.233   3.868
+   14ARG     HE  219   5.328   3.173   3.920
+   14ARG     CZ  220   5.208   3.188   3.756
+   14ARG    NH1  221   5.167   3.281   3.669
+   14ARG   HH11  222   5.182   3.378   3.689
+   14ARG   HH12  223   5.123   3.253   3.584
+   14ARG    NH2  224   5.193   3.058   3.736
+   14ARG   HH21  225   5.226   2.992   3.804
+   14ARG   HH22  226   5.149   3.025   3.652
+   14ARG      C  227   4.991   3.464   4.255
+   14ARG      O  228   5.054   3.545   4.325
+   15HIS      N  229   4.866   3.487   4.213
+   15HIS      H  230   4.812   3.411   4.177
+   15HIS     CA  231   4.806   3.621   4.220
+   15HIS     HA  232   4.886   3.681   4.221
+   15HIS     CB  233   4.720   3.654   4.095
+   15HIS    HB1  234   4.671   3.572   4.065
+   15HIS    HB2  235   4.655   3.726   4.117
+   15HIS     CG  236   4.806   3.701   3.984
+   15HIS    ND1  237   4.844   3.626   3.876
+   15HIS    CD2  238   4.872   3.819   3.966
+   15HIS    HD2  239   4.864   3.901   4.023
+   15HIS    CE1  240   4.919   3.693   3.793
+   15HIS    HE1  241   4.947   3.666   3.701
+   15HIS    NE2  242   4.950   3.804   3.856
+   15HIS    HE2  243   5.022   3.868   3.827
+   15HIS      C  244   4.729   3.648   4.348
+   15HIS      O  245   4.659   3.750   4.362
+   16GLY      N  246   4.728   3.555   4.439
+   16GLY      H  247   4.767   3.467   4.413
+   16GLY     CA  248   4.674   3.564   4.574
+   16GLY    HA1  249   4.723   3.496   4.629
+   16GLY    HA2  250   4.697   3.656   4.607
+   16GLY      C  251   4.524   3.542   4.588
+   16GLY      O  252   4.463   3.602   4.680
+   17LEU      N  253   4.464   3.469   4.494
+   17LEU      H  254   4.520   3.432   4.420
+   17LEU     CA  255   4.322   3.442   4.497
+   17LEU     HA  256   4.284   3.526   4.536
+   17LEU     CB  257   4.263   3.427   4.357
+   17LEU    HB1  258   4.323   3.366   4.306
+   17LEU    HB2  259   4.173   3.384   4.367
+   17LEU     CG  260   4.243   3.551   4.273
+   17LEU     HG  261   4.331   3.598   4.265
+   17LEU    CD1  262   4.191   3.504   4.137
+   17LEU   HD11  263   4.177   3.583   4.078
+   17LEU   HD12  264   4.258   3.443   4.096
+   17LEU   HD13  265   4.105   3.455   4.150
+   17LEU    CD2  266   4.154   3.657   4.335
+   17LEU   HD21  267   4.146   3.735   4.273
+   17LEU   HD22  268   4.063   3.618   4.351
+   17LEU   HD23  269   4.193   3.687   4.422
+   17LEU      C  270   4.283   3.330   4.594
+   17LEU      O  271   4.162   3.321   4.622
+   18ASP      N  272   4.376   3.243   4.628
+   18ASP      H  273   4.469   3.253   4.590
+   18ASP     CA  274   4.347   3.134   4.720
+   18ASP     HA  275   4.270   3.090   4.674
+   18ASP     CB  276   4.454   3.025   4.727
+   18ASP    HB1  277   4.481   3.000   4.634
+   18ASP    HB2  278   4.533   3.060   4.777
+   18ASP     CG  279   4.400   2.903   4.798
+   18ASP    OD1  280   4.279   2.877   4.812
+   18ASP    OD2  281   4.490   2.822   4.833
+   18ASP      C  282   4.299   3.184   4.857
+   18ASP      O  283   4.381   3.240   4.933
+   19ASN      N  284   4.173   3.161   4.887
+   19ASN      H  285   4.117   3.111   4.822
+   19ASN     CA  286   4.110   3.205   5.012
+   19ASN     HA  287   4.027   3.151   5.001
+   19ASN     CB  288   4.175   3.162   5.144
+   19ASN    HB1  289   4.172   3.063   5.148
+   19ASN    HB2  290   4.270   3.193   5.142
+   19ASN     CG  291   4.114   3.213   5.273
+   19ASN    OD1  292   3.995   3.189   5.302
+   19ASN    ND2  293   4.183   3.298   5.352
+   19ASN   HD21  294   4.274   3.328   5.326
+   19ASN   HD22  295   4.142   3.331   5.437
+   19ASN      C  296   4.083   3.356   5.017
+   19ASN      O  297   4.041   3.402   5.124
+   20TYR      N  298   4.095   3.427   4.908
+   20TYR      H  299   4.122   3.382   4.822
+   20TYR     CA  300   4.069   3.572   4.908
+   20TYR     HA  301   4.128   3.612   4.978
+   20TYR     CB  302   4.105   3.636   4.774
+   20TYR    HB1  303   4.196   3.605   4.747
+   20TYR    HB2  304   4.039   3.607   4.705
+   20TYR     CG  305   4.104   3.787   4.781
+   20TYR    CD1  306   4.212   3.851   4.843
+   20TYR    HD1  307   4.285   3.796   4.885
+   20TYR    CD2  308   3.996   3.862   4.736
+   20TYR    HD2  309   3.916   3.817   4.697
+   20TYR    CE1  310   4.219   3.990   4.846
+   20TYR    HE1  311   4.302   4.036   4.878
+   20TYR    CE2  312   4.000   4.002   4.745
+   20TYR    HE2  313   3.925   4.057   4.708
+   20TYR     CZ  314   4.108   4.064   4.805
+   20TYR     OH  315   4.112   4.199   4.820
+   20TYR     HH  316   4.026   4.238   4.786
+   20TYR      C  317   3.921   3.596   4.943
+   20TYR      O  318   3.827   3.549   4.879
+   21ARG      N  319   3.907   3.676   5.047
+   21ARG      H  320   3.989   3.710   5.093
+   21ARG     CA  321   3.775   3.717   5.099
+   21ARG     HA  322   3.795   3.767   5.183
+   21ARG     CB  323   3.699   3.819   5.012
+   21ARG    HB1  324   3.706   3.789   4.917
+   21ARG    HB2  325   3.603   3.818   5.040
+   21ARG     CG  326   3.749   3.961   5.021
+   21ARG    HG1  327   3.849   3.960   5.017
+   21ARG    HG2  328   3.713   4.011   4.941
+   21ARG     CD  329   3.709   4.037   5.144
+   21ARG    HD1  330   3.645   4.111   5.121
+   21ARG    HD2  331   3.667   3.977   5.211
+   21ARG     NE  332   3.830   4.094   5.199
+   21ARG     HE  333   3.852   4.053   5.288
+   21ARG     CZ  334   3.920   4.185   5.165
+   21ARG    NH1  335   4.048   4.148   5.152
+   21ARG   HH11  336   4.074   4.052   5.168
+   21ARG   HH12  337   4.118   4.215   5.126
+   21ARG    NH2  338   3.892   4.306   5.116
+   21ARG   HH21  339   3.797   4.334   5.104
+   21ARG   HH22  340   3.966   4.368   5.093
+   21ARG      C  341   3.694   3.593   5.129
+   21ARG      O  342   3.571   3.595   5.128
+   22GLY      N  343   3.767   3.487   5.167
+   22GLY      H  344   3.866   3.492   5.159
+   22GLY     CA  345   3.708   3.364   5.219
+   22GLY    HA1  346   3.775   3.323   5.282
+   22GLY    HA2  347   3.626   3.389   5.269
+   22GLY      C  348   3.673   3.264   5.111
+   22GLY      O  349   3.606   3.164   5.145
+   23TYR      N  350   3.719   3.285   4.989
+   23TYR      H  351   3.777   3.365   4.971
+   23TYR     CA  352   3.687   3.194   4.878
+   23TYR     HA  353   3.618   3.132   4.917
+   23TYR     CB  354   3.633   3.273   4.758
+   23TYR    HB1  355   3.698   3.345   4.737
+   23TYR    HB2  356   3.625   3.211   4.680
+   23TYR     CG  357   3.498   3.336   4.780
+   23TYR    CD1  358   3.383   3.258   4.781
+   23TYR    HD1  359   3.389   3.160   4.761
+   23TYR    CD2  360   3.488   3.472   4.813
+   23TYR    HD2  361   3.570   3.528   4.817
+   23TYR    CE1  362   3.258   3.314   4.809
+   23TYR    HE1  363   3.176   3.257   4.809
+   23TYR    CE2  364   3.363   3.529   4.840
+   23TYR    HE2  365   3.356   3.627   4.860
+   23TYR     CZ  366   3.250   3.450   4.837
+   23TYR     OH  367   3.127   3.506   4.858
+   23TYR     HH  368   3.137   3.603   4.877
+   23TYR      C  369   3.810   3.115   4.830
+   23TYR      O  370   3.902   3.181   4.781
+   24SER      N  371   3.801   2.984   4.848
+   24SER      H  372   3.718   2.945   4.889
+   24SER     CA  373   3.912   2.897   4.808
+   24SER     HA  374   3.993   2.933   4.854
+   24SER     CB  375   3.890   2.755   4.858
+   24SER    HB1  376   3.969   2.698   4.836
+   24SER    HB2  377   3.875   2.755   4.957
+   24SER     OG  378   3.778   2.696   4.798
+   24SER     HG  379   3.767   2.603   4.833
+   24SER      C  380   3.934   2.900   4.656
+   24SER      O  381   3.842   2.931   4.581
+   25LEU      N  382   4.057   2.865   4.621
+   25LEU      H  383   4.121   2.833   4.691
+   25LEU     CA  384   4.102   2.871   4.481
+   25LEU     HA  385   4.106   2.967   4.454
+   25LEU     CB  386   4.239   2.803   4.475
+   25LEU    HB1  387   4.301   2.848   4.539
+   25LEU    HB2  388   4.229   2.707   4.501
+   25LEU     CG  389   4.299   2.810   4.336
+   25LEU     HG  390   4.240   2.764   4.269
+   25LEU    CD1  391   4.315   2.955   4.296
+   25LEU   HD11  392   4.355   2.960   4.204
+   25LEU   HD12  393   4.226   2.999   4.296
+   25LEU   HD13  394   4.376   3.001   4.361
+   25LEU    CD2  395   4.438   2.743   4.342
+   25LEU   HD21  396   4.480   2.746   4.252
+   25LEU   HD22  397   4.495   2.792   4.408
+   25LEU   HD23  398   4.428   2.648   4.371
+   25LEU      C  399   4.001   2.806   4.385
+   25LEU      O  400   3.985   2.854   4.273
+   26GLY      N  401   3.948   2.690   4.425
+   26GLY      H  402   3.975   2.652   4.513
+   26GLY     CA  403   3.852   2.618   4.343
+   26GLY    HA1  404   3.902   2.584   4.263
+   26GLY    HA2  405   3.819   2.541   4.397
+   26GLY      C  406   3.732   2.700   4.295
+   26GLY      O  407   3.687   2.687   4.179
+   27ASN      N  408   3.688   2.790   4.383
+   27ASN      H  409   3.731   2.793   4.473
+   27ASN     CA  410   3.581   2.885   4.353
+   27ASN     HA  411   3.500   2.829   4.335
+   27ASN     CB  412   3.546   2.975   4.472
+   27ASN    HB1  413   3.630   3.008   4.516
+   27ASN    HB2  414   3.492   3.053   4.442
+   27ASN     CG  415   3.466   2.889   4.572
+   27ASN    OD1  416   3.349   2.855   4.549
+   27ASN    ND2  417   3.533   2.867   4.684
+   27ASN   HD21  418   3.624   2.905   4.696
+   27ASN   HD22  419   3.492   2.813   4.757
+   27ASN      C  420   3.614   2.963   4.227
+   27ASN      O  421   3.530   2.983   4.139
+   28TRP      N  422   3.732   3.021   4.225
+   28TRP      H  423   3.794   3.004   4.302
+   28TRP     CA  424   3.781   3.109   4.118
+   28TRP     HA  425   3.714   3.181   4.099
+   28TRP     CB  426   3.908   3.176   4.169
+   28TRP    HB1  427   3.976   3.105   4.190
+   28TRP    HB2  428   3.944   3.236   4.097
+   28TRP     CG  429   3.892   3.260   4.292
+   28TRP    CD1  430   3.916   3.224   4.422
+   28TRP    HD1  431   3.947   3.134   4.452
+   28TRP    CD2  432   3.830   3.390   4.296
+   28TRP    NE1  433   3.890   3.331   4.503
+   28TRP    HE1  434   3.912   3.335   4.601
+   28TRP    CE2  435   3.832   3.430   4.431
+   28TRP    CE3  436   3.787   3.479   4.197
+   28TRP    HE3  437   3.793   3.454   4.100
+   28TRP    CZ2  438   3.789   3.556   4.471
+   28TRP    HZ2  439   3.793   3.586   4.566
+   28TRP    CZ3  440   3.738   3.602   4.235
+   28TRP    HZ3  441   3.700   3.665   4.167
+   28TRP    CH2  442   3.741   3.639   4.369
+   28TRP    HH2  443   3.707   3.729   4.395
+   28TRP      C  444   3.792   3.036   3.985
+   28TRP      O  445   3.772   3.094   3.876
+   29VAL      N  446   3.855   2.916   3.993
+   29VAL      H  447   3.891   2.884   4.081
+   29VAL     CA  448   3.871   2.833   3.872
+   29VAL     HA  449   3.915   2.891   3.803
+   29VAL     CB  450   3.963   2.711   3.903
+   29VAL     HB  451   3.926   2.654   3.976
+   29VAL    CG1  452   3.976   2.622   3.781
+   29VAL   HG11  453   4.035   2.544   3.802
+   29VAL   HG12  454   3.886   2.588   3.754
+   29VAL   HG13  455   4.016   2.674   3.705
+   29VAL    CG2  456   4.099   2.767   3.944
+   29VAL   HG21  457   4.161   2.691   3.965
+   29VAL   HG22  458   4.137   2.821   3.869
+   29VAL   HG23  459   4.088   2.825   4.025
+   29VAL      C  460   3.736   2.796   3.810
+   29VAL      O  461   3.715   2.812   3.690
+   30CYS      N  462   3.648   2.753   3.897
+   30CYS      H  463   3.678   2.742   3.992
+   30CYS     CA  464   3.510   2.719   3.866
+   30CYS     HA  465   3.518   2.642   3.803
+   30CYS     CB  466   3.432   2.667   3.984
+   30CYS    HB1  467   3.492   2.598   4.025
+   30CYS    HB2  468   3.425   2.745   4.046
+   30CYS     SG  469   3.270   2.600   3.936
+   30CYS      C  470   3.437   2.834   3.797
+   30CYS      O  471   3.387   2.814   3.684
+   31ALA      N  472   3.451   2.953   3.854
+   31ALA      H  473   3.504   2.960   3.939
+   31ALA     CA  474   3.393   3.075   3.798
+   31ALA     HA  475   3.294   3.059   3.795
+   31ALA     CB  476   3.415   3.195   3.887
+   31ALA    HB1  477   3.373   3.276   3.845
+   31ALA    HB2  478   3.372   3.179   3.976
+   31ALA    HB3  479   3.513   3.211   3.899
+   31ALA      C  480   3.447   3.097   3.655
+   31ALA      O  481   3.365   3.131   3.567
+   32ALA      N  482   3.579   3.097   3.638
+   32ALA      H  483   3.637   3.084   3.719
+   32ALA     CA  484   3.644   3.116   3.509
+   32ALA     HA  485   3.618   3.207   3.477
+   32ALA     CB  486   3.796   3.110   3.527
+   32ALA    HB1  487   3.841   3.122   3.439
+   32ALA    HB2  488   3.825   3.182   3.590
+   32ALA    HB3  489   3.822   3.021   3.565
+   32ALA      C  490   3.592   3.016   3.405
+   32ALA      O  491   3.575   3.048   3.288
+   33LYS      N  492   3.571   2.892   3.448
+   33LYS      H  493   3.589   2.872   3.544
+   33LYS     CA  494   3.524   2.784   3.363
+   33LYS     HA  495   3.595   2.778   3.293
+   33LYS     CB  496   3.520   2.648   3.432
+   33LYS    HB1  497   3.613   2.626   3.460
+   33LYS    HB2  498   3.462   2.657   3.513
+   33LYS     CG  499   3.468   2.532   3.348
+   33LYS    HG1  500   3.468   2.450   3.406
+   33LYS    HG2  501   3.374   2.553   3.321
+   33LYS     CD  502   3.548   2.502   3.222
+   33LYS    HD1  503   3.566   2.587   3.173
+   33LYS    HD2  504   3.634   2.458   3.247
+   33LYS     CE  505   3.467   2.408   3.134
+   33LYS    HE1  506   3.439   2.329   3.188
+   33LYS    HE2  507   3.385   2.457   3.102
+   33LYS     NZ  508   3.540   2.360   3.015
+   33LYS    HZ1  509   3.481   2.299   2.961
+   33LYS    HZ2  510   3.567   2.438   2.958
+   33LYS    HZ3  511   3.622   2.310   3.044
+   33LYS      C  512   3.388   2.818   3.301
+   33LYS      O  513   3.379   2.813   3.178
+   34PHE      N  514   3.295   2.857   3.385
+   34PHE      H  515   3.320   2.875   3.481
+   34PHE     CA  516   3.155   2.874   3.342
+   34PHE     HA  517   3.136   2.814   3.265
+   34PHE     CB  518   3.061   2.829   3.454
+   34PHE    HB1  519   3.089   2.871   3.540
+   34PHE    HB2  520   2.967   2.858   3.432
+   34PHE     CG  521   3.062   2.679   3.470
+   34PHE    CD1  522   3.019   2.597   3.366
+   34PHE    HD1  523   2.976   2.637   3.285
+   34PHE    CD2  524   3.125   2.625   3.582
+   34PHE    HD2  525   3.158   2.685   3.655
+   34PHE    CE1  526   3.035   2.458   3.376
+   34PHE    HE1  527   3.008   2.399   3.300
+   34PHE    CE2  528   3.142   2.486   3.593
+   34PHE    HE2  529   3.191   2.448   3.671
+   34PHE     CZ  530   3.090   2.403   3.493
+   34PHE     HZ  531   3.092   2.303   3.506
+   34PHE      C  532   3.133   3.013   3.283
+   34PHE      O  533   3.048   3.031   3.191
+   35GLU      N  534   3.223   3.103   3.322
+   35GLU      H  535   3.295   3.079   3.387
+   35GLU     CA  536   3.216   3.241   3.267
+   35GLU     HA  537   3.116   3.252   3.267
+   35GLU     CB  538   3.268   3.351   3.356
+   35GLU    HB1  539   3.362   3.327   3.380
+   35GLU    HB2  540   3.267   3.435   3.302
+   35GLU     CG  541   3.197   3.383   3.486
+   35GLU    HG1  542   3.188   3.297   3.536
+   35GLU    HG2  543   3.257   3.445   3.537
+   35GLU     CD  544   3.061   3.447   3.481
+   35GLU    OE1  545   3.039   3.498   3.369
+   35GLU    OE2  546   2.993   3.465   3.580
+   35GLU      C  547   3.264   3.256   3.125
+   35GLU      O  548   3.199   3.313   3.036
+   36SER      N  549   3.385   3.210   3.100
+   36SER      H  550   3.429   3.160   3.174
+   36SER     CA  551   3.461   3.224   2.977
+   36SER     HA  552   3.390   3.260   2.917
+   36SER     CB  553   3.581   3.315   3.002
+   36SER    HB1  554   3.630   3.332   2.916
+   36SER    HB2  555   3.552   3.402   3.041
+   36SER     OG  556   3.673   3.257   3.092
+   36SER     HG  557   3.750   3.319   3.106
+   36SER      C  558   3.512   3.096   2.910
+   36SER      O  559   3.573   3.108   2.803
+   37ASN      N  560   3.494   2.984   2.974
+   37ASN      H  561   3.431   2.984   3.052
+   37ASN     CA  562   3.561   2.859   2.937
+   37ASN     HA  563   3.542   2.791   3.009
+   37ASN     CB  564   3.501   2.811   2.805
+   37ASN    HB1  565   3.404   2.836   2.803
+   37ASN    HB2  566   3.549   2.856   2.730
+   37ASN     CG  567   3.514   2.660   2.789
+   37ASN    OD1  568   3.562   2.589   2.878
+   37ASN    ND2  569   3.485   2.613   2.668
+   37ASN   HD21  570   3.457   2.675   2.595
+   37ASN   HD22  571   3.491   2.514   2.650
+   37ASN      C  572   3.713   2.871   2.937
+   37ASN      O  573   3.779   2.825   2.842
+   38PHE      N  574   3.767   2.950   3.029
+   38PHE      H  575   3.707   2.996   3.094
+   38PHE     CA  576   3.911   2.973   3.039
+   38PHE     HA  577   3.916   3.031   3.121
+   38PHE     CB  578   3.989   2.844   3.062
+   38PHE    HB1  579   3.980   2.787   2.981
+   38PHE    HB2  580   4.086   2.868   3.075
+   38PHE     CG  581   3.947   2.763   3.181
+   38PHE    CD1  582   3.908   2.819   3.301
+   38PHE    HD1  583   3.904   2.919   3.309
+   38PHE    CD2  584   3.949   2.622   3.168
+   38PHE    HD2  585   3.976   2.580   3.082
+   38PHE    CE1  586   3.875   2.743   3.411
+   38PHE    HE1  587   3.846   2.787   3.496
+   38PHE    CE2  588   3.912   2.543   3.278
+   38PHE    HE2  589   3.906   2.444   3.268
+   38PHE     CZ  590   3.882   2.603   3.402
+   38PHE     HZ  591   3.865   2.546   3.483
+   38PHE      C  592   3.970   3.052   2.922
+   38PHE      O  593   4.090   3.041   2.897
+   39ASN      N  594   3.892   3.141   2.864
+   39ASN      H  595   3.800   3.156   2.901
+   39ASN     CA  596   3.932   3.219   2.747
+   39ASN     HA  597   4.022   3.187   2.717
+   39ASN     CB  598   3.839   3.192   2.630
+   39ASN    HB1  599   3.824   3.093   2.625
+   39ASN    HB2  600   3.751   3.237   2.649
+   39ASN     CG  601   3.886   3.239   2.495
+   39ASN    OD1  602   3.956   3.337   2.471
+   39ASN    ND2  603   3.856   3.148   2.402
+   39ASN   HD21  604   3.809   3.064   2.427
+   39ASN   HD22  605   3.881   3.165   2.306
+   39ASN      C  606   3.952   3.365   2.785
+   39ASN      O  607   3.852   3.427   2.825
+   40THR      N  608   4.075   3.411   2.774
+   40THR      H  609   4.146   3.348   2.746
+   40THR     CA  610   4.112   3.549   2.801
+   40THR     HA  611   4.064   3.560   2.888
+   40THR     CB  612   4.266   3.572   2.825
+   40THR     HB  613   4.283   3.658   2.873
+   40THR    OG1  614   4.325   3.578   2.689
+   40THR    HG1  615   4.424   3.592   2.696
+   40THR    CG2  616   4.339   3.474   2.918
+   40THR   HG21  617   4.436   3.499   2.924
+   40THR   HG22  618   4.298   3.477   3.009
+   40THR   HG23  619   4.332   3.381   2.881
+   40THR      C  620   4.048   3.651   2.708
+   40THR      O  621   4.030   3.767   2.746
+   41GLN      N  622   3.998   3.605   2.596
+   41GLN      H  623   3.991   3.506   2.585
+   41GLN     CA  624   3.950   3.691   2.486
+   41GLN     HA  625   3.989   3.781   2.508
+   41GLN     CB  626   4.003   3.644   2.350
+   41GLN    HB1  627   3.981   3.547   2.339
+   41GLN    HB2  628   3.958   3.696   2.278
+   41GLN     CG  629   4.153   3.662   2.339
+   41GLN    HG1  630   4.193   3.676   2.430
+   41GLN    HG2  631   4.195   3.583   2.295
+   41GLN     CD  632   4.174   3.786   2.254
+   41GLN    OE1  633   4.134   3.793   2.138
+   41GLN    NE2  634   4.226   3.885   2.325
+   41GLN   HE21  635   4.245   3.872   2.422
+   41GLN   HE22  636   4.245   3.973   2.281
+   41GLN      C  637   3.797   3.700   2.480
+   41GLN      O  638   3.748   3.764   2.383
+   42ALA      N  639   3.731   3.626   2.566
+   42ALA      H  640   3.781   3.574   2.635
+   42ALA     CA  641   3.584   3.620   2.561
+   42ALA     HA  642   3.559   3.588   2.469
+   42ALA     CB  643   3.533   3.522   2.667
+   42ALA    HB1  644   3.434   3.518   2.664
+   42ALA    HB2  645   3.571   3.431   2.650
+   42ALA    HB3  646   3.563   3.554   2.758
+   42ALA      C  647   3.524   3.759   2.586
+   42ALA      O  648   3.562   3.831   2.679
+   43THR      N  649   3.426   3.791   2.503
+   43THR      H  650   3.408   3.731   2.425
+   43THR     CA  651   3.342   3.911   2.519
+   43THR     HA  652   3.361   3.936   2.615
+   43THR     CB  653   3.379   4.035   2.430
+   43THR     HB  654   3.324   4.115   2.450
+   43THR    OG1  655   3.353   3.994   2.291
+   43THR    HG1  656   3.376   4.070   2.230
+   43THR    CG2  657   3.523   4.083   2.449
+   43THR   HG21  658   3.540   4.162   2.389
+   43THR   HG22  659   3.536   4.110   2.544
+   43THR   HG23  660   3.586   4.010   2.426
+   43THR      C  661   3.196   3.873   2.496
+   43THR      O  662   3.170   3.789   2.408
+   44ASN      N  663   3.107   3.936   2.570
+   44ASN      H  664   3.139   4.003   2.638
+   44ASN     CA  665   2.962   3.912   2.556
+   44ASN     HA  666   2.946   3.872   2.466
+   44ASN     CB  667   2.914   3.810   2.659
+   44ASN    HB1  668   2.956   3.722   2.640
+   44ASN    HB2  669   2.940   3.841   2.750
+   44ASN     CG  670   2.763   3.794   2.655
+   44ASN    OD1  671   2.711   3.734   2.559
+   44ASN    ND2  672   2.689   3.855   2.748
+   44ASN   HD21  673   2.733   3.910   2.819
+   44ASN   HD22  674   2.589   3.845   2.747
+   44ASN      C  675   2.888   4.046   2.571
+   44ASN      O  676   2.915   4.122   2.664
+   45ARG      N  677   2.804   4.074   2.475
+   45ARG      H  678   2.790   4.005   2.403
+   45ARG     CA  679   2.728   4.198   2.465
+   45ARG     HA  680   2.782   4.268   2.513
+   45ARG     CB  681   2.712   4.246   2.321
+   45ARG    HB1  682   2.798   4.288   2.290
+   45ARG    HB2  683   2.691   4.167   2.262
+   45ARG     CG  684   2.599   4.348   2.311
+   45ARG    HG1  685   2.575   4.364   2.216
+   45ARG    HG2  686   2.519   4.315   2.360
+   45ARG     CD  687   2.648   4.475   2.374
+   45ARG    HD1  688   2.572   4.535   2.399
+   45ARG    HD2  689   2.704   4.457   2.455
+   45ARG     NE  690   2.729   4.538   2.269
+   45ARG     HE  691   2.829   4.542   2.274
+   45ARG     CZ  692   2.660   4.589   2.165
+   45ARG    NH1  693   2.527   4.595   2.157
+   45ARG   HH11  694   2.471   4.560   2.232
+   45ARG   HH12  695   2.483   4.635   2.076
+   45ARG    NH2  696   2.735   4.632   2.064
+   45ARG   HH21  697   2.835   4.624   2.069
+   45ARG   HH22  698   2.692   4.671   1.983
+   45ARG      C  699   2.594   4.178   2.534
+   45ARG      O  700   2.538   4.068   2.524
+   46ASN      N  701   2.553   4.279   2.612
+   46ASN      H  702   2.608   4.362   2.617
+   46ASN     CA  703   2.428   4.269   2.689
+   46ASN     HA  704   2.393   4.177   2.675
+   46ASN     CB  705   2.456   4.285   2.837
+   46ASN    HB1  706   2.493   4.377   2.852
+   46ASN    HB2  707   2.368   4.276   2.886
+   46ASN     CG  708   2.552   4.186   2.899
+   46ASN    OD1  709   2.664   4.228   2.932
+   46ASN    ND2  710   2.510   4.060   2.907
+   46ASN   HD21  711   2.420   4.035   2.873
+   46ASN   HD22  712   2.570   3.990   2.947
+   46ASN      C  713   2.324   4.368   2.636
+   46ASN      O  714   2.360   4.472   2.579
+   47THR      N  715   2.201   4.345   2.678
+   47THR      H  716   2.186   4.267   2.739
+   47THR     CA  717   2.085   4.427   2.642
+   47THR     HA  718   2.092   4.428   2.543
+   47THR     CB  719   1.948   4.364   2.688
+   47THR     HB  720   1.867   4.407   2.649
+   47THR    OG1  721   1.949   4.382   2.833
+   47THR    HG1  722   1.865   4.344   2.871
+   47THR    CG2  723   1.931   4.217   2.648
+   47THR   HG21  724   1.842   4.184   2.680
+   47THR   HG22  725   1.936   4.209   2.549
+   47THR   HG23  726   2.004   4.163   2.690
+   47THR      C  727   2.098   4.573   2.686
+   47THR      O  728   2.058   4.659   2.606
+   48ASP      N  729   2.161   4.600   2.799
+   48ASP      H  730   2.193   4.522   2.853
+   48ASP     CA  731   2.186   4.734   2.850
+   48ASP     HA  732   2.102   4.778   2.820
+   48ASP     CB  733   2.200   4.735   3.003
+   48ASP    HB1  734   2.192   4.830   3.035
+   48ASP    HB2  735   2.127   4.680   3.043
+   48ASP     CG  736   2.335   4.679   3.050
+   48ASP    OD1  737   2.408   4.622   2.968
+   48ASP    OD2  738   2.373   4.706   3.166
+   48ASP      C  739   2.299   4.813   2.785
+   48ASP      O  740   2.323   4.924   2.836
+   49GLY      N  741   2.363   4.764   2.681
+   49GLY      H  742   2.335   4.674   2.646
+   49GLY     CA  743   2.472   4.832   2.612
+   49GLY    HA1  744   2.463   4.812   2.515
+   49GLY    HA2  745   2.459   4.930   2.628
+   49GLY      C  746   2.613   4.794   2.657
+   49GLY      O  747   2.715   4.831   2.598
+   50SER      N  748   2.615   4.728   2.774
+   50SER      H  749   2.529   4.708   2.819
+   50SER     CA  750   2.742   4.685   2.839
+   50SER     HA  751   2.808   4.757   2.825
+   50SER     CB  752   2.725   4.671   2.989
+   50SER    HB1  753   2.814   4.663   3.033
+   50SER    HB2  754   2.676   4.750   3.026
+   50SER     OG  755   2.651   4.555   3.021
+   50SER     HG  756   2.641   4.548   3.120
+   50SER      C  757   2.796   4.558   2.773
+   50SER      O  758   2.725   4.488   2.697
+   51THR      N  759   2.925   4.539   2.794
+   51THR      H  760   2.977   4.608   2.843
+   51THR     CA  761   2.995   4.418   2.747
+   51THR     HA  762   2.927   4.351   2.716
+   51THR     CB  763   3.088   4.453   2.625
+   51THR     HB  764   3.160   4.519   2.648
+   51THR    OG1  765   3.008   4.520   2.526
+   51THR    HG1  766   3.065   4.543   2.447
+   51THR    CG2  767   3.167   4.332   2.572
+   51THR   HG21  768   3.224   4.360   2.495
+   51THR   HG22  769   3.224   4.295   2.645
+   51THR   HG23  770   3.102   4.262   2.541
+   51THR      C  771   3.070   4.359   2.867
+   51THR      O  772   3.114   4.433   2.955
+   52ASP      N  773   3.069   4.227   2.874
+   52ASP      H  774   3.010   4.176   2.812
+   52ASP     CA  775   3.151   4.152   2.971
+   52ASP     HA  776   3.168   4.210   3.050
+   52ASP     CB  777   3.075   4.027   3.012
+   52ASP    HB1  778   3.063   3.968   2.932
+   52ASP    HB2  779   3.127   3.978   3.082
+   52ASP     CG  780   2.938   4.061   3.067
+   52ASP    OD1  781   2.920   4.155   3.143
+   52ASP    OD2  782   2.850   3.976   3.045
+   52ASP      C  783   3.282   4.111   2.904
+   52ASP      O  784   3.283   4.069   2.786
+   53TYR      N  785   3.390   4.135   2.976
+   53TYR      H  786   3.379   4.164   3.072
+   53TYR     CA  787   3.526   4.122   2.922
+   53TYR     HA  788   3.508   4.087   2.830
+   53TYR     CB  789   3.597   4.259   2.918
+   53TYR    HB1  790   3.591   4.301   3.009
+   53TYR    HB2  791   3.693   4.244   2.895
+   53TYR     CG  792   3.542   4.358   2.818
+   53TYR    CD1  793   3.582   4.362   2.685
+   53TYR    HD1  794   3.652   4.298   2.653
+   53TYR    CD2  795   3.449   4.453   2.862
+   53TYR    HD2  796   3.425   4.456   2.959
+   53TYR    CE1  797   3.527   4.454   2.595
+   53TYR    HE1  798   3.554   4.454   2.499
+   53TYR    CE2  799   3.389   4.542   2.774
+   53TYR    HE2  800   3.315   4.602   2.805
+   53TYR     CZ  801   3.434   4.547   2.642
+   53TYR     OH  802   3.384   4.642   2.558
+   53TYR     HH  803   3.319   4.700   2.607
+   53TYR      C  804   3.614   4.021   2.996
+   53TYR      O  805   3.627   4.023   3.118
+   54GLY      N  806   3.673   3.934   2.918
+   54GLY      H  807   3.640   3.928   2.824
+   54GLY     CA  808   3.783   3.845   2.955
+   54GLY    HA1  809   3.825   3.815   2.869
+   54GLY    HA2  810   3.848   3.901   3.006
+   54GLY      C  811   3.748   3.722   3.038
+   54GLY      O  812   3.632   3.678   3.041
+   55ILE      N  813   3.854   3.671   3.099
+   55ILE      H  814   3.941   3.720   3.097
+   55ILE     CA  815   3.843   3.541   3.168
+   55ILE     HA  816   3.803   3.480   3.100
+   55ILE     CB  817   3.987   3.496   3.211
+   55ILE     HB  818   4.059   3.510   3.143
+   55ILE    CG1  819   3.977   3.343   3.235
+   55ILE   HG11  820   3.934   3.329   3.325
+   55ILE   HG12  821   3.917   3.305   3.164
+   55ILE    CG2  822   4.038   3.583   3.328
+   55ILE   HG21  823   4.129   3.553   3.355
+   55ILE   HG22  824   4.041   3.679   3.300
+   55ILE   HG23  825   3.976   3.573   3.406
+   55ILE     CD  826   4.108   3.264   3.233
+   55ILE    HD1  827   4.089   3.167   3.250
+   55ILE    HD2  828   4.152   3.274   3.144
+   55ILE    HD3  829   4.169   3.299   3.304
+   55ILE      C  830   3.740   3.537   3.280
+   55ILE      O  831   3.675   3.432   3.298
+   56LEU      N  832   3.720   3.650   3.343
+   56LEU      H  833   3.776   3.730   3.321
+   56LEU     CA  834   3.615   3.662   3.447
+   56LEU     HA  835   3.576   3.571   3.460
+   56LEU     CB  836   3.680   3.704   3.579
+   56LEU    HB1  837   3.737   3.785   3.562
+   56LEU    HB2  838   3.606   3.729   3.643
+   56LEU     CG  839   3.767   3.597   3.647
+   56LEU     HG  840   3.839   3.561   3.587
+   56LEU    CD1  841   3.831   3.662   3.768
+   56LEU   HD11  842   3.889   3.595   3.815
+   56LEU   HD12  843   3.887   3.739   3.739
+   56LEU   HD13  844   3.760   3.693   3.830
+   56LEU    CD2  845   3.679   3.480   3.686
+   56LEU   HD21  846   3.735   3.409   3.730
+   56LEU   HD22  847   3.609   3.511   3.750
+   56LEU   HD23  848   3.635   3.442   3.605
+   56LEU      C  849   3.496   3.746   3.401
+   56LEU      O  850   3.414   3.773   3.490
+   57GLN      N  851   3.484   3.772   3.272
+   57GLN      H  852   3.558   3.746   3.210
+   57GLN     CA  853   3.365   3.840   3.220
+   57GLN     HA  854   3.388   3.877   3.130
+   57GLN     CB  855   3.250   3.738   3.212
+   57GLN    HB1  856   3.246   3.687   3.298
+   57GLN    HB2  857   3.164   3.787   3.198
+   57GLN     CG  858   3.271   3.641   3.097
+   57GLN    HG1  859   3.361   3.598   3.108
+   57GLN    HG2  860   3.200   3.571   3.101
+   57GLN     CD  861   3.266   3.706   2.960
+   57GLN    OE1  862   3.155   3.722   2.908
+   57GLN    NE2  863   3.379   3.742   2.902
+   57GLN   HE21  864   3.467   3.727   2.948
+   57GLN   HE22  865   3.377   3.785   2.812
+   57GLN      C  866   3.326   3.956   3.311
+   57GLN      O  867   3.210   3.965   3.358
+   58ILE      N  868   3.414   4.053   3.324
+   58ILE      H  869   3.503   4.043   3.278
+   58ILE     CA  870   3.391   4.174   3.402
+   58ILE     HA  871   3.331   4.148   3.478
+   58ILE     CB  872   3.528   4.228   3.454
+   58ILE     HB  873   3.598   4.230   3.382
+   58ILE    CG1  874   3.573   4.134   3.569
+   58ILE   HG11  875   3.518   4.153   3.650
+   58ILE   HG12  876   3.560   4.039   3.540
+   58ILE    CG2  877   3.516   4.376   3.498
+   58ILE   HG21  878   3.605   4.408   3.530
+   58ILE   HG22  879   3.486   4.431   3.420
+   58ILE   HG23  880   3.449   4.383   3.571
+   58ILE     CD  881   3.723   4.157   3.603
+   58ILE    HD1  882   3.750   4.096   3.677
+   58ILE    HD2  883   3.779   4.139   3.522
+   58ILE    HD3  884   3.736   4.252   3.632
+   58ILE      C  885   3.318   4.278   3.317
+   58ILE      O  886   3.353   4.303   3.200
+   59ASN      N  887   3.213   4.329   3.377
+   59ASN      H  888   3.199   4.310   3.474
+   59ASN     CA  889   3.113   4.413   3.308
+   59ASN     HA  890   3.108   4.381   3.213
+   59ASN     CB  891   2.978   4.393   3.379
+   59ASN    HB1  892   2.959   4.295   3.383
+   59ASN    HB2  893   2.985   4.430   3.471
+   59ASN     CG  894   2.863   4.461   3.308
+   59ASN    OD1  895   2.844   4.579   3.343
+   59ASN    ND2  896   2.814   4.394   3.206
+   59ASN   HD21  897   2.852   4.306   3.180
+   59ASN   HD22  898   2.737   4.432   3.154
+   59ASN      C  899   3.153   4.559   3.294
+   59ASN      O  900   3.190   4.623   3.393
+   60SER      N  901   3.125   4.610   3.173
+   60SER      H  902   3.083   4.552   3.103
+   60SER     CA  903   3.155   4.753   3.142
+   60SER     HA  904   3.244   4.762   3.187
+   60SER     CB  905   3.162   4.776   2.992
+   60SER    HB1  906   3.195   4.869   2.974
+   60SER    HB2  907   3.225   4.710   2.951
+   60SER     OG  908   3.041   4.763   2.923
+   60SER     HG  909   3.057   4.780   2.825
+   60SER      C  910   3.067   4.861   3.203
+   60SER      O  911   3.103   4.980   3.190
+   61ARG      N  912   2.951   4.828   3.253
+   61ARG      H  913   2.918   4.734   3.244
+   61ARG     CA  914   2.867   4.927   3.324
+   61ARG     HA  915   2.867   5.005   3.261
+   61ARG     CB  916   2.725   4.882   3.342
+   61ARG    HB1  917   2.695   4.835   3.258
+   61ARG    HB2  918   2.722   4.817   3.418
+   61ARG     CG  919   2.630   4.997   3.371
+   61ARG    HG1  920   2.665   5.056   3.443
+   61ARG    HG2  921   2.612   5.051   3.289
+   61ARG     CD  922   2.504   4.928   3.417
+   61ARG    HD1  923   2.464   4.875   3.341
+   61ARG    HD2  924   2.525   4.866   3.493
+   61ARG     NE  925   2.408   5.027   3.461
+   61ARG     HE  926   2.439   5.117   3.494
+   61ARG     CZ  927   2.277   4.997   3.456
+   61ARG    NH1  928   2.242   4.888   3.389
+   61ARG   HH11  929   2.312   4.832   3.344
+   61ARG   HH12  930   2.146   4.862   3.383
+   61ARG    NH2  931   2.191   5.087   3.502
+   61ARG   HH21  932   2.223   5.174   3.539
+   61ARG   HH22  933   2.092   5.067   3.500
+   61ARG      C  934   2.926   4.973   3.456
+   61ARG      O  935   2.926   5.095   3.479
+   62TRP      N  936   2.975   4.882   3.540
+   62TRP      H  937   2.975   4.786   3.512
+   62TRP     CA  938   3.030   4.918   3.670
+   62TRP     HA  939   2.993   5.011   3.680
+   62TRP     CB  940   2.981   4.823   3.780
+   62TRP    HB1  941   3.028   4.735   3.770
+   62TRP    HB2  942   3.003   4.862   3.870
+   62TRP     CG  943   2.834   4.798   3.777
+   62TRP    CD1  944   2.770   4.687   3.731
+   62TRP    HD1  945   2.815   4.602   3.704
+   62TRP    CD2  946   2.731   4.892   3.810
+   62TRP    NE1  947   2.634   4.708   3.728
+   62TRP    HE1  948   2.566   4.642   3.695
+   62TRP    CE2  949   2.607   4.832   3.777
+   62TRP    CE3  950   2.731   5.020   3.864
+   62TRP    HE3  951   2.817   5.066   3.886
+   62TRP    CZ2  952   2.485   4.895   3.798
+   62TRP    HZ2  953   2.399   4.849   3.777
+   62TRP    CZ3  954   2.610   5.083   3.886
+   62TRP    HZ3  955   2.608   5.173   3.929
+   62TRP    CH2  956   2.489   5.023   3.848
+   62TRP    HH2  957   2.403   5.074   3.859
+   62TRP      C  958   3.183   4.926   3.677
+   62TRP      O  959   3.230   5.002   3.764
+   63TRP      N  960   3.252   4.835   3.609
+   63TRP      H  961   3.207   4.788   3.533
+   63TRP     CA  962   3.389   4.802   3.639
+   63TRP     HA  963   3.391   4.868   3.714
+   63TRP     CB  964   3.405   4.654   3.678
+   63TRP    HB1  965   3.399   4.598   3.596
+   63TRP    HB2  966   3.494   4.641   3.721
+   63TRP     CG  967   3.302   4.605   3.774
+   63TRP    CD1  968   3.194   4.524   3.745
+   63TRP    HD1  969   3.171   4.490   3.653
+   63TRP    CD2  970   3.290   4.635   3.912
+   63TRP    NE1  971   3.122   4.496   3.857
+   63TRP    HE1  972   3.045   4.434   3.863
+   63TRP    CE2  973   3.174   4.569   3.960
+   63TRP    CE3  974   3.367   4.710   3.999
+   63TRP    HE3  975   3.450   4.756   3.967
+   63TRP    CZ2  976   3.137   4.575   4.095
+   63TRP    HZ2  977   3.057   4.526   4.129
+   63TRP    CZ3  978   3.328   4.721   4.132
+   63TRP    HZ3  979   3.381   4.778   4.195
+   63TRP    CH2  980   3.216   4.653   4.179
+   63TRP    HH2  981   3.191   4.661   4.275
+   63TRP      C  982   3.507   4.854   3.562
+   63TRP      O  983   3.612   4.880   3.624
+   64CYS      N  984   3.494   4.853   3.432
+   64CYS      H  985   3.410   4.815   3.393
+   64CYS     CA  986   3.596   4.905   3.340
+   64CYS     HA  987   3.664   4.956   3.393
+   64CYS     CB  988   3.662   4.788   3.268
+   64CYS    HB1  989   3.734   4.832   3.214
+   64CYS    HB2  990   3.703   4.736   3.342
+   64CYS     SG  991   3.554   4.685   3.166
+   64CYS      C  992   3.530   4.998   3.238
+   64CYS      O  993   3.408   4.993   3.220
+   65ASN      N  994   3.614   5.079   3.176
+   65ASN      H  995   3.711   5.074   3.198
+   65ASN     CA  996   3.568   5.175   3.075
+   65ASN     HA  997   3.469   5.182   3.089
+   65ASN     CB  998   3.636   5.311   3.096
+   65ASN    HB1  999   3.611   5.349   3.185
+   65ASN    HB2 1000   3.735   5.301   3.091
+   65ASN     CG 1001   3.589   5.404   2.985
+   65ASN    OD1 1002   3.472   5.418   2.953
+   65ASN    ND2 1003   3.689   5.456   2.914
+   65ASN   HD21 1004   3.784   5.432   2.937
+   65ASN   HD22 1005   3.671   5.518   2.839
+   65ASN      C 1006   3.596   5.127   2.933
+   65ASN      O 1007   3.711   5.094   2.902
+   66ASP      N 1008   3.490   5.110   2.855
+   66ASP      H 1009   3.398   5.119   2.894
+   66ASP     CA 1010   3.508   5.080   2.712
+   66ASP     HA 1011   3.607   5.071   2.700
+   66ASP     CB 1012   3.444   4.948   2.678
+   66ASP    HB1 1013   3.472   4.923   2.585
+   66ASP    HB2 1014   3.477   4.879   2.742
+   66ASP     CG 1015   3.293   4.952   2.684
+   66ASP    OD1 1016   3.227   5.052   2.713
+   66ASP    OD2 1017   3.243   4.839   2.662
+   66ASP      C 1018   3.464   5.194   2.621
+   66ASP      O 1019   3.470   5.176   2.500
+   67GLY      N 1020   3.421   5.303   2.681
+   67GLY      H 1021   3.417   5.303   2.781
+   67GLY     CA 1022   3.380   5.423   2.609
+   67GLY    HA1 1023   3.369   5.494   2.678
+   67GLY    HA2 1024   3.455   5.446   2.548
+   67GLY      C 1025   3.252   5.417   2.527
+   67GLY      O 1026   3.217   5.516   2.461
+   68ARG      N 1027   3.180   5.306   2.532
+   68ARG      H 1028   3.212   5.230   2.588
+   68ARG     CA 1029   3.054   5.293   2.458
+   68ARG     HA 1030   3.031   5.387   2.432
+   68ARG     CB 1031   3.073   5.207   2.333
+   68ARG    HB1 1032   2.986   5.202   2.284
+   68ARG    HB2 1033   3.142   5.249   2.274
+   68ARG     CG 1034   3.118   5.067   2.372
+   68ARG    HG1 1035   3.201   5.073   2.427
+   68ARG    HG2 1036   3.046   5.023   2.426
+   68ARG     CD 1037   3.146   4.981   2.255
+   68ARG    HD1 1038   3.150   5.037   2.172
+   68ARG    HD2 1039   3.233   4.933   2.267
+   68ARG     NE 1040   3.042   4.882   2.239
+   68ARG     HE 1041   3.064   4.793   2.278
+   68ARG     CZ 1042   2.922   4.888   2.182
+   68ARG    NH1 1043   2.848   4.993   2.152
+   68ARG   HH11 1044   2.882   5.085   2.174
+   68ARG   HH12 1045   2.759   4.981   2.109
+   68ARG    NH2 1046   2.888   4.775   2.117
+   68ARG   HH21 1047   2.950   4.697   2.116
+   68ARG   HH22 1048   2.799   4.769   2.071
+   68ARG      C 1049   2.940   5.238   2.543
+   68ARG      O 1050   2.837   5.200   2.488
+   69THR      N 1051   2.957   5.252   2.672
+   69THR      H 1052   3.040   5.297   2.705
+   69THR     CA 1053   2.859   5.203   2.770
+   69THR     HA 1054   2.791   5.157   2.712
+   69THR     CB 1055   2.919   5.100   2.876
+   69THR     HB 1056   2.989   5.137   2.937
+   69THR    OG1 1057   2.983   4.995   2.795
+   69THR    HG1 1058   3.023   4.927   2.856
+   69THR    CG2 1059   2.810   5.048   2.971
+   69THR   HG21 1060   2.851   4.984   3.037
+   69THR   HG22 1061   2.770   5.125   3.021
+   69THR   HG23 1062   2.739   5.001   2.919
+   69THR      C 1063   2.797   5.322   2.845
+   69THR      O 1064   2.866   5.386   2.924
+   70PRO      N 1065   2.667   5.336   2.825
+   70PRO     CA 1066   2.593   5.444   2.894
+   70PRO     HA 1067   2.634   5.535   2.881
+   70PRO     CB 1068   2.454   5.437   2.834
+   70PRO    HB1 1069   2.393   5.382   2.891
+   70PRO    HB2 1070   2.415   5.528   2.822
+   70PRO     CG 1071   2.474   5.371   2.700
+   70PRO    HG1 1072   2.390   5.324   2.671
+   70PRO    HG2 1073   2.499   5.439   2.631
+   70PRO     CD 1074   2.587   5.271   2.721
+   70PRO    HD1 1075   2.553   5.183   2.752
+   70PRO    HD2 1076   2.641   5.259   2.638
+   70PRO      C 1077   2.594   5.414   3.043
+   70PRO      O 1078   2.572   5.298   3.078
+   71GLY      N 1079   2.614   5.511   3.127
+   71GLY      H 1080   2.634   5.601   3.088
+   71GLY     CA 1081   2.612   5.500   3.272
+   71GLY    HA1 1082   2.604   5.593   3.308
+   71GLY    HA2 1083   2.529   5.449   3.295
+   71GLY      C 1084   2.731   5.433   3.338
+   71GLY      O 1085   2.724   5.388   3.454
+   72SER      N 1086   2.840   5.425   3.265
+   72SER      H 1087   2.838   5.466   3.174
+   72SER     CA 1088   2.964   5.360   3.308
+   72SER     HA 1089   2.948   5.263   3.328
+   72SER     CB 1090   3.064   5.362   3.193
+   72SER    HB1 1091   3.043   5.288   3.129
+   72SER    HB2 1092   3.058   5.450   3.146
+   72SER     OG 1093   3.200   5.345   3.233
+   72SER     HG 1094   3.258   5.348   3.152
+   72SER      C 1095   3.012   5.420   3.439
+   72SER      O 1096   3.003   5.544   3.454
+   73ARG      N 1097   3.063   5.339   3.530
+   73ARG      H 1098   3.059   5.241   3.511
+   73ARG     CA 1099   3.123   5.382   3.656
+   73ARG     HA 1100   3.101   5.479   3.646
+   73ARG     CB 1101   3.059   5.317   3.780
+   73ARG    HB1 1102   3.059   5.218   3.767
+   73ARG    HB2 1103   3.116   5.340   3.859
+   73ARG     CG 1104   2.917   5.360   3.811
+   73ARG    HG1 1105   2.864   5.369   3.726
+   73ARG    HG2 1106   2.873   5.293   3.871
+   73ARG     CD 1107   2.919   5.492   3.879
+   73ARG    HD1 1108   2.981   5.486   3.958
+   73ARG    HD2 1109   2.953   5.560   3.815
+   73ARG     NE 1110   2.791   5.539   3.929
+   73ARG     HE 1111   2.772   5.532   4.027
+   73ARG     CZ 1112   2.696   5.592   3.849
+   73ARG    NH1 1113   2.682   5.555   3.721
+   73ARG   HH11 1114   2.743   5.487   3.682
+   73ARG   HH12 1115   2.611   5.597   3.665
+   73ARG    NH2 1116   2.655   5.717   3.882
+   73ARG   HH21 1117   2.695   5.763   3.960
+   73ARG   HH22 1118   2.585   5.762   3.827
+   73ARG      C 1119   3.275   5.368   3.670
+   73ARG      O 1120   3.341   5.437   3.752
+   74ASN      N 1121   3.333   5.276   3.596
+   74ASN      H 1122   3.274   5.223   3.535
+   74ASN     CA 1123   3.476   5.245   3.598
+   74ASN     HA 1124   3.485   5.155   3.556
+   74ASN     CB 1125   3.555   5.341   3.508
+   74ASN    HB1 1126   3.505   5.351   3.422
+   74ASN    HB2 1127   3.560   5.429   3.554
+   74ASN     CG 1128   3.696   5.295   3.476
+   74ASN    OD1 1129   3.730   5.179   3.502
+   74ASN    ND2 1130   3.782   5.381   3.423
+   74ASN   HD21 1131   3.753   5.475   3.405
+   74ASN   HD22 1132   3.875   5.352   3.402
+   74ASN      C 1133   3.530   5.234   3.740
+   74ASN      O 1134   3.624   5.309   3.773
+   75LEU      N 1135   3.470   5.148   3.821
+   75LEU      H 1136   3.394   5.093   3.787
+   75LEU     CA 1137   3.513   5.131   3.960
+   75LEU     HA 1138   3.530   5.223   3.995
+   75LEU     CB 1139   3.399   5.067   4.040
+   75LEU    HB1 1140   3.366   4.987   3.990
+   75LEU    HB2 1141   3.435   5.039   4.129
+   75LEU     CG 1142   3.280   5.162   4.065
+   75LEU     HG 1143   3.260   5.214   3.982
+   75LEU    CD1 1144   3.155   5.081   4.101
+   75LEU   HD11 1145   3.079   5.144   4.116
+   75LEU   HD12 1146   3.133   5.019   4.025
+   75LEU   HD13 1147   3.173   5.028   4.184
+   75LEU    CD2 1148   3.314   5.259   4.178
+   75LEU   HD21 1149   3.236   5.320   4.194
+   75LEU   HD22 1150   3.333   5.207   4.261
+   75LEU   HD23 1151   3.394   5.313   4.153
+   75LEU      C 1152   3.650   5.063   3.975
+   75LEU      O 1153   3.715   5.082   4.081
+   76CYS      N 1154   3.695   4.993   3.873
+   76CYS      H 1155   3.639   4.983   3.791
+   76CYS     CA 1156   3.828   4.930   3.878
+   76CYS     HA 1157   3.839   4.916   3.976
+   76CYS     CB 1158   3.838   4.792   3.815
+   76CYS    HB1 1159   3.798   4.805   3.724
+   76CYS    HB2 1160   3.936   4.777   3.806
+   76CYS     SG 1161   3.757   4.658   3.903
+   76CYS      C 1162   3.937   5.022   3.826
+   76CYS      O 1163   4.055   4.985   3.824
+   77ASN      N 1164   3.894   5.130   3.764
+   77ASN      H 1165   3.796   5.142   3.756
+   77ASN     CA 1166   3.981   5.235   3.707
+   77ASN     HA 1167   3.920   5.300   3.662
+   77ASN     CB 1168   4.057   5.311   3.815
+   77ASN    HB1 1169   3.995   5.329   3.892
+   77ASN    HB2 1170   4.134   5.255   3.847
+   77ASN     CG 1171   4.111   5.443   3.763
+   77ASN    OD1 1172   4.033   5.521   3.707
+   77ASN    ND2 1173   4.241   5.463   3.772
+   77ASN   HD21 1174   4.300   5.393   3.812
+   77ASN   HD22 1175   4.281   5.549   3.738
+   77ASN      C 1176   4.069   5.178   3.597
+   77ASN      O 1177   4.193   5.195   3.598
+   78ILE      N 1178   4.013   5.103   3.505
+   78ILE      H 1179   3.914   5.087   3.510
+   78ILE     CA 1180   4.088   5.040   3.396
+   78ILE     HA 1181   4.172   5.094   3.387
+   78ILE     CB 1182   4.116   4.888   3.429
+   78ILE     HB 1183   4.142   4.837   3.346
+   78ILE    CG1 1184   3.986   4.826   3.482
+   78ILE   HG11 1185   3.962   4.874   3.566
+   78ILE   HG12 1186   3.915   4.841   3.413
+   78ILE    CG2 1187   4.242   4.862   3.515
+   78ILE   HG21 1188   4.252   4.764   3.531
+   78ILE   HG22 1189   4.322   4.897   3.467
+   78ILE   HG23 1190   4.232   4.910   3.602
+   78ILE     CD 1191   3.992   4.674   3.512
+   78ILE    HD1 1192   3.903   4.644   3.546
+   78ILE    HD2 1193   4.014   4.624   3.429
+   78ILE    HD3 1194   4.062   4.656   3.582
+   78ILE      C 1195   4.008   5.047   3.266
+   78ILE      O 1196   3.884   5.031   3.270
+   79PRO      N 1197   4.081   5.041   3.156
+   79PRO     CA 1198   4.017   5.025   3.025
+   79PRO     HA 1199   3.939   5.085   3.009
+   79PRO     CB 1200   4.124   5.059   2.923
+   79PRO    HB1 1201   4.128   4.988   2.852
+   79PRO    HB2 1202   4.105   5.147   2.880
+   79PRO     CG 1203   4.253   5.065   2.996
+   79PRO    HG1 1204   4.309   4.986   2.971
+   79PRO    HG2 1205   4.302   5.149   2.971
+   79PRO     CD 1206   4.226   5.064   3.146
+   79PRO    HD1 1207   4.275   4.991   3.191
+   79PRO    HD2 1208   4.250   5.152   3.187
+   79PRO      C 1209   3.977   4.877   3.022
+   79PRO      O 1210   4.056   4.789   3.067
+   80CYS      N 1211   3.861   4.853   2.964
+   80CYS      H 1212   3.804   4.929   2.933
+   80CYS     CA 1213   3.815   4.714   2.943
+   80CYS     HA 1214   3.812   4.682   3.038
+   80CYS     CB 1215   3.673   4.696   2.892
+   80CYS    HB1 1216   3.676   4.731   2.799
+   80CYS    HB2 1217   3.661   4.597   2.890
+   80CYS     SG 1218   3.545   4.778   2.991
+   80CYS      C 1219   3.913   4.634   2.860
+   80CYS      O 1220   3.919   4.510   2.879
+   81SER      N 1221   3.975   4.691   2.759
+   81SER      H 1222   3.951   4.786   2.739
+   81SER     CA 1223   4.076   4.629   2.674
+   81SER     HA 1224   4.022   4.560   2.626
+   81SER     CB 1225   4.136   4.726   2.572
+   81SER    HB1 1226   4.204   4.681   2.514
+   81SER    HB2 1227   4.065   4.768   2.514
+   81SER     OG 1228   4.201   4.830   2.644
+   81SER     HG 1229   4.242   4.895   2.579
+   81SER      C 1230   4.189   4.565   2.756
+   81SER      O 1231   4.232   4.456   2.711
+   82ALA      N 1232   4.221   4.619   2.872
+   82ALA      H 1233   4.174   4.702   2.903
+   82ALA     CA 1234   4.325   4.558   2.956
+   82ALA     HA 1235   4.402   4.542   2.894
+   82ALA     CB 1236   4.370   4.655   3.065
+   82ALA    HB1 1237   4.441   4.612   3.121
+   82ALA    HB2 1238   4.407   4.738   3.023
+   82ALA    HB3 1239   4.292   4.679   3.123
+   82ALA      C 1240   4.285   4.422   3.013
+   82ALA      O 1241   4.368   4.342   3.059
+   83LEU      N 1242   4.155   4.396   3.015
+   83LEU      H 1243   4.093   4.467   2.981
+   83LEU     CA 1244   4.095   4.271   3.063
+   83LEU     HA 1245   4.152   4.234   3.136
+   83LEU     CB 1246   3.960   4.304   3.124
+   83LEU    HB1 1247   3.904   4.344   3.051
+   83LEU    HB2 1248   3.919   4.218   3.153
+   83LEU     CG 1249   3.949   4.398   3.243
+   83LEU     HG 1250   3.991   4.484   3.213
+   83LEU    CD1 1251   3.802   4.419   3.281
+   83LEU   HD11 1252   3.797   4.481   3.360
+   83LEU   HD12 1253   3.752   4.459   3.204
+   83LEU   HD13 1254   3.761   4.331   3.306
+   83LEU    CD2 1255   4.026   4.349   3.365
+   83LEU   HD21 1256   4.015   4.415   3.440
+   83LEU   HD22 1257   3.990   4.260   3.393
+   83LEU   HD23 1258   4.123   4.340   3.342
+   83LEU      C 1259   4.104   4.158   2.962
+   83LEU      O 1260   4.065   4.044   2.993
+   84LEU      N 1261   4.145   4.189   2.840
+   84LEU      H 1262   4.168   4.284   2.821
+   84LEU     CA 1263   4.159   4.092   2.732
+   84LEU     HA 1264   4.111   4.010   2.765
+   84LEU     CB 1265   4.089   4.141   2.606
+   84LEU    HB1 1266   4.140   4.222   2.575
+   84LEU    HB2 1267   4.098   4.069   2.537
+   84LEU     CG 1268   3.943   4.180   2.610
+   84LEU     HG 1269   3.931   4.247   2.683
+   84LEU    CD1 1270   3.899   4.239   2.475
+   84LEU   HD11 1271   3.803   4.264   2.480
+   84LEU   HD12 1272   3.954   4.320   2.455
+   84LEU   HD13 1273   3.913   4.171   2.403
+   84LEU    CD2 1274   3.858   4.056   2.634
+   84LEU   HD21 1275   3.761   4.082   2.637
+   84LEU   HD22 1276   3.873   3.991   2.560
+   84LEU   HD23 1277   3.884   4.015   2.721
+   84LEU      C 1278   4.303   4.046   2.710
+   84LEU      O 1279   4.331   3.986   2.605
+   85SER      N 1280   4.392   4.082   2.799
+   85SER      H 1281   4.364   4.142   2.874
+   85SER     CA 1282   4.532   4.037   2.794
+   85SER     HA 1283   4.565   4.060   2.703
+   85SER     CB 1284   4.609   4.110   2.904
+   85SER    HB1 1285   4.595   4.209   2.899
+   85SER    HB2 1286   4.583   4.077   2.995
+   85SER     OG 1287   4.746   4.083   2.884
+   85SER     HG 1288   4.800   4.130   2.954
+   85SER      C 1289   4.545   3.886   2.817
+   85SER      O 1290   4.474   3.826   2.899
+   86SER      N 1291   4.660   3.836   2.773
+   86SER      H 1292   4.722   3.895   2.721
+   86SER     CA 1293   4.699   3.696   2.797
+   86SER     HA 1294   4.618   3.642   2.777
+   86SER     CB 1295   4.809   3.649   2.702
+   86SER    HB1 1296   4.861   3.725   2.664
+   86SER    HB2 1297   4.871   3.584   2.746
+   86SER     OG 1298   4.738   3.583   2.598
+   86SER     HG 1299   4.803   3.549   2.530
+   86SER      C 1300   4.737   3.677   2.944
+   86SER      O 1301   4.729   3.567   3.000
+   87ASP      N 1302   4.783   3.786   3.000
+   87ASP      H 1303   4.788   3.868   2.942
+   87ASP     CA 1304   4.826   3.801   3.140
+   87ASP     HA 1305   4.874   3.720   3.173
+   87ASP     CB 1306   4.920   3.923   3.146
+   87ASP    HB1 1307   4.999   3.902   3.088
+   87ASP    HB2 1308   4.871   4.001   3.108
+   87ASP     CG 1309   4.974   3.966   3.280
+   87ASP    OD1 1310   4.932   3.932   3.393
+   87ASP    OD2 1311   5.077   4.042   3.274
+   87ASP      C 1312   4.698   3.828   3.220
+   87ASP      O 1313   4.647   3.938   3.196
+   88ILE      N 1314   4.671   3.747   3.321
+   88ILE      H 1315   4.732   3.671   3.343
+   88ILE     CA 1316   4.549   3.771   3.401
+   88ILE     HA 1317   4.491   3.812   3.332
+   88ILE     CB 1318   4.497   3.636   3.462
+   88ILE     HB 1319   4.412   3.650   3.513
+   88ILE    CG1 1320   4.590   3.582   3.574
+   88ILE   HG11 1321   4.665   3.535   3.528
+   88ILE   HG12 1322   4.625   3.662   3.622
+   88ILE    CG2 1323   4.457   3.536   3.351
+   88ILE   HG21 1324   4.424   3.451   3.392
+   88ILE   HG22 1325   4.384   3.577   3.295
+   88ILE   HG23 1326   4.536   3.517   3.293
+   88ILE     CD 1327   4.534   3.485   3.681
+   88ILE    HD1 1328   4.607   3.460   3.745
+   88ILE    HD2 1329   4.460   3.529   3.731
+   88ILE    HD3 1330   4.500   3.402   3.636
+   88ILE      C 1331   4.556   3.876   3.511
+   88ILE      O 1332   4.458   3.893   3.587
+   89THR      N 1333   4.672   3.941   3.530
+   89THR      H 1334   4.749   3.920   3.470
+   89THR     CA 1335   4.689   4.039   3.636
+   89THR     HA 1336   4.689   3.977   3.715
+   89THR     CB 1337   4.825   4.121   3.625
+   89THR     HB 1338   4.833   4.178   3.543
+   89THR    OG1 1339   4.932   4.021   3.616
+   89THR    HG1 1340   5.020   4.068   3.608
+   89THR    CG2 1341   4.840   4.217   3.744
+   89THR   HG21 1342   4.926   4.268   3.735
+   89THR   HG22 1343   4.763   4.281   3.745
+   89THR   HG23 1344   4.841   4.165   3.829
+   89THR      C 1345   4.572   4.138   3.651
+   89THR      O 1346   4.532   4.160   3.767
+   90ALA      N 1347   4.549   4.210   3.543
+   90ALA      H 1348   4.601   4.192   3.460
+   90ALA     CA 1349   4.446   4.317   3.543
+   90ALA     HA 1350   4.479   4.386   3.608
+   90ALA     CB 1351   4.435   4.383   3.405
+   90ALA    HB1 1352   4.365   4.455   3.408
+   90ALA    HB2 1353   4.523   4.423   3.380
+   90ALA    HB3 1354   4.409   4.314   3.337
+   90ALA      C 1355   4.310   4.269   3.594
+   90ALA      O 1356   4.235   4.329   3.674
+   91SER      N 1357   4.273   4.154   3.537
+   91SER      H 1358   4.335   4.112   3.471
+   91SER     CA 1359   4.147   4.084   3.565
+   91SER     HA 1360   4.076   4.149   3.541
+   91SER     CB 1361   4.126   3.965   3.475
+   91SER    HB1 1362   4.208   3.908   3.476
+   91SER    HB2 1363   4.048   3.912   3.508
+   91SER     OG 1364   4.100   3.995   3.341
+   91SER     HG 1365   4.087   3.911   3.290
+   91SER      C 1366   4.141   4.044   3.714
+   91SER      O 1367   4.039   4.068   3.778
+   92VAL      N 1368   4.248   3.983   3.762
+   92VAL      H 1369   4.324   3.962   3.701
+   92VAL     CA 1370   4.257   3.947   3.905
+   92VAL     HA 1371   4.179   3.888   3.925
+   92VAL     CB 1372   4.387   3.866   3.932
+   92VAL     HB 1373   4.468   3.908   3.891
+   92VAL    CG1 1374   4.411   3.861   4.082
+   92VAL   HG11 1375   4.494   3.809   4.101
+   92VAL   HG12 1376   4.420   3.954   4.117
+   92VAL   HG13 1377   4.333   3.816   4.127
+   92VAL    CG2 1378   4.376   3.729   3.868
+   92VAL   HG21 1379   4.459   3.677   3.886
+   92VAL   HG22 1380   4.297   3.681   3.907
+   92VAL   HG23 1381   4.363   3.739   3.770
+   92VAL      C 1382   4.246   4.073   3.993
+   92VAL      O 1383   4.170   4.064   4.091
+   93ASN      N 1384   4.318   4.178   3.958
+   93ASN      H 1385   4.376   4.173   3.877
+   93ASN     CA 1386   4.314   4.303   4.035
+   93ASN     HA 1387   4.344   4.268   4.124
+   93ASN     CB 1388   4.415   4.409   3.992
+   93ASN    HB1 1389   4.411   4.419   3.892
+   93ASN    HB2 1390   4.392   4.496   4.035
+   93ASN     CG 1391   4.556   4.370   4.031
+   93ASN    OD1 1392   4.653   4.429   3.979
+   93ASN    ND2 1393   4.569   4.281   4.130
+   93ASN   HD21 1394   4.488   4.243   4.174
+   93ASN   HD22 1395   4.660   4.252   4.160
+   93ASN      C 1396   4.173   4.365   4.047
+   93ASN      O 1397   4.134   4.401   4.158
+   94CYS      N 1398   4.108   4.362   3.934
+   94CYS      H 1399   4.152   4.328   3.851
+   94CYS     CA 1400   3.967   4.407   3.930
+   94CYS     HA 1401   3.961   4.494   3.979
+   94CYS     CB 1402   3.927   4.432   3.786
+   94CYS    HB1 1403   3.998   4.493   3.749
+   94CYS    HB2 1404   3.933   4.343   3.741
+   94CYS     SG 1405   3.762   4.505   3.772
+   94CYS      C 1406   3.876   4.315   4.009
+   94CYS      O 1407   3.795   4.365   4.091
+   95ALA      N 1408   3.892   4.185   3.993
+   95ALA      H 1409   3.963   4.153   3.930
+   95ALA     CA 1410   3.811   4.085   4.064
+   95ALA     HA 1411   3.720   4.109   4.031
+   95ALA     CB 1412   3.848   3.941   4.028
+   95ALA    HB1 1413   3.789   3.879   4.079
+   95ALA    HB2 1414   3.834   3.927   3.930
+   95ALA    HB3 1415   3.943   3.924   4.052
+   95ALA      C 1416   3.822   4.095   4.216
+   95ALA      O 1417   3.720   4.080   4.285
+   96LYS      N 1418   3.940   4.125   4.266
+   96LYS      H 1419   4.019   4.128   4.204
+   96LYS     CA 1420   3.961   4.153   4.409
+   96LYS     HA 1421   3.928   4.070   4.453
+   96LYS     CB 1422   4.108   4.173   4.444
+   96LYS    HB1 1423   4.148   4.239   4.380
+   96LYS    HB2 1424   4.114   4.209   4.538
+   96LYS     CG 1425   4.185   4.041   4.437
+   96LYS    HG1 1426   4.154   3.979   4.509
+   96LYS    HG2 1427   4.170   3.999   4.348
+   96LYS     CD 1428   4.334   4.069   4.455
+   96LYS    HD1 1429   4.365   4.125   4.378
+   96LYS    HD2 1430   4.346   4.120   4.540
+   96LYS     CE 1431   4.418   3.944   4.461
+   96LYS    HE1 1432   4.388   3.885   4.536
+   96LYS    HE2 1433   4.412   3.893   4.375
+   96LYS     NZ 1434   4.559   3.986   4.484
+   96LYS    HZ1 1435   4.618   3.906   4.488
+   96LYS    HZ2 1436   4.589   4.045   4.409
+   96LYS    HZ3 1437   4.565   4.037   4.570
+   96LYS      C 1438   3.878   4.274   4.458
+   96LYS      O 1439   3.828   4.263   4.570
+   97LYS      N 1440   3.864   4.372   4.372
+   97LYS      H 1441   3.911   4.368   4.284
+   97LYS     CA 1442   3.779   4.488   4.405
+   97LYS     HA 1443   3.806   4.513   4.498
+   97LYS     CB 1444   3.807   4.608   4.314
+   97LYS    HB1 1445   3.787   4.581   4.220
+   97LYS    HB2 1446   3.747   4.683   4.341
+   97LYS     CG 1447   3.952   4.655   4.323
+   97LYS    HG1 1448   3.970   4.685   4.417
+   97LYS    HG2 1449   4.012   4.578   4.301
+   97LYS     CD 1450   3.982   4.769   4.228
+   97LYS    HD1 1451   3.946   4.747   4.137
+   97LYS    HD2 1452   3.939   4.853   4.262
+   97LYS     CE 1453   4.132   4.791   4.218
+   97LYS    HE1 1454   4.171   4.803   4.309
+   97LYS    HE2 1455   4.175   4.713   4.173
+   97LYS     NZ 1456   4.155   4.914   4.138
+   97LYS    HZ1 1457   4.253   4.931   4.130
+   97LYS    HZ2 1458   4.115   4.903   4.047
+   97LYS    HZ3 1459   4.111   4.992   4.183
+   97LYS      C 1460   3.631   4.452   4.406
+   97LYS      O 1461   3.555   4.494   4.494
+   98ILE      N 1462   3.588   4.375   4.309
+   98ILE      H 1463   3.654   4.343   4.241
+   98ILE     CA 1464   3.450   4.331   4.294
+   98ILE     HA 1465   3.397   4.416   4.296
+   98ILE     CB 1466   3.429   4.262   4.157
+   98ILE     HB 1467   3.494   4.187   4.149
+   98ILE    CG1 1468   3.462   4.353   4.037
+   98ILE   HG11 1469   3.396   4.427   4.036
+   98ILE   HG12 1470   3.554   4.391   4.052
+   98ILE    CG2 1471   3.287   4.201   4.149
+   98ILE   HG21 1472   3.274   4.156   4.060
+   98ILE   HG22 1473   3.275   4.133   4.222
+   98ILE   HG23 1474   3.219   4.273   4.159
+   98ILE     CD 1475   3.460   4.282   3.899
+   98ILE    HD1 1476   3.483   4.348   3.828
+   98ILE    HD2 1477   3.527   4.208   3.899
+   98ILE    HD3 1478   3.369   4.245   3.882
+   98ILE      C 1479   3.401   4.249   4.412
+   98ILE      O 1480   3.304   4.287   4.480
+   99VAL      N 1481   3.486   4.159   4.458
+   99VAL      H 1482   3.578   4.155   4.421
+   99VAL     CA 1483   3.447   4.063   4.563
+   99VAL     HA 1484   3.353   4.032   4.546
+   99VAL     CB 1485   3.538   3.939   4.553
+   99VAL     HB 1486   3.542   3.909   4.458
+   99VAL    CG1 1487   3.679   3.976   4.595
+   99VAL   HG11 1488   3.738   3.895   4.588
+   99VAL   HG12 1489   3.714   4.047   4.535
+   99VAL   HG13 1490   3.678   4.009   4.689
+   99VAL    CG2 1491   3.481   3.821   4.630
+   99VAL   HG21 1492   3.543   3.743   4.622
+   99VAL   HG22 1493   3.472   3.846   4.727
+   99VAL   HG23 1494   3.392   3.797   4.593
+   99VAL      C 1495   3.441   4.132   4.699
+   99VAL      O 1496   3.372   4.083   4.790
+  100SER      N 1497   3.519   4.237   4.708
+  100SER      H 1498   3.572   4.265   4.629
+  100SER     CA 1499   3.528   4.315   4.832
+  100SER     HA 1500   3.521   4.252   4.910
+  100SER     CB 1501   3.663   4.381   4.839
+  100SER    HB1 1502   3.678   4.436   4.757
+  100SER    HB2 1503   3.667   4.440   4.920
+  100SER     OG 1504   3.769   4.288   4.849
+  100SER     HG 1505   3.856   4.338   4.853
+  100SER      C 1506   3.410   4.412   4.843
+  100SER      O 1507   3.398   4.475   4.949
+  101ASP      N 1508   3.329   4.422   4.742
+  101ASP      H 1509   3.347   4.363   4.664
+  101ASP     CA 1510   3.214   4.511   4.732
+  101ASP     HA 1511   3.255   4.590   4.779
+  101ASP     CB 1512   3.179   4.547   4.588
+  101ASP    HB1 1513   3.258   4.527   4.530
+  101ASP    HB2 1514   3.101   4.491   4.559
+  101ASP     CG 1515   3.141   4.694   4.568
+  101ASP    OD1 1516   3.223   4.784   4.594
+  101ASP    OD2 1517   3.026   4.714   4.522
+  101ASP      C 1518   3.090   4.480   4.815
+  101ASP      O 1519   3.011   4.576   4.835
+  102GLY      N 1520   3.070   4.356   4.856
+  102GLY      H 1521   3.129   4.282   4.823
+  102GLY     CA 1522   2.960   4.328   4.949
+  102GLY    HA1 1523   3.000   4.317   5.040
+  102GLY    HA2 1524   2.899   4.407   4.949
+  102GLY      C 1525   2.879   4.203   4.917
+  102GLY      O 1526   2.817   4.152   5.013
+  103ASN      N 1527   2.878   4.162   4.791
+  103ASN      H 1528   2.928   4.215   4.722
+  103ASN     CA 1529   2.806   4.042   4.752
+  103ASN     HA 1530   2.755   4.018   4.834
+  103ASN     CB 1531   2.696   4.067   4.649
+  103ASN    HB1 1532   2.672   4.164   4.651
+  103ASN    HB2 1533   2.731   4.043   4.559
+  103ASN     CG 1534   2.569   3.987   4.673
+  103ASN    OD1 1535   2.549   3.920   4.777
+  103ASN    ND2 1536   2.465   4.005   4.591
+  103ASN   HD21 1537   2.472   4.070   4.516
+  103ASN   HD22 1538   2.381   3.953   4.605
+  103ASN      C 1539   2.897   3.922   4.727
+  103ASN      O 1540   2.845   3.820   4.679
+  104GLY      N 1541   3.022   3.933   4.767
+  104GLY      H 1542   3.054   4.019   4.807
+  104GLY     CA 1543   3.116   3.819   4.753
+  104GLY    HA1 1544   3.207   3.847   4.781
+  104GLY    HA2 1545   3.085   3.744   4.811
+  104GLY      C 1546   3.115   3.776   4.606
+  104GLY      O 1547   3.113   3.866   4.521
+  105MET      N 1548   3.116   3.647   4.578
+  105MET      H 1549   3.111   3.580   4.653
+  105MET     CA 1550   3.126   3.599   4.439
+  105MET     HA 1551   3.179   3.668   4.391
+  105MET     CB 1552   3.202   3.467   4.430
+  105MET    HB1 1553   3.165   3.404   4.499
+  105MET    HB2 1554   3.188   3.428   4.339
+  105MET     CG 1555   3.350   3.484   4.454
+  105MET    HG1 1556   3.378   3.560   4.395
+  105MET    HG2 1557   3.359   3.511   4.550
+  105MET     SD 1558   3.436   3.328   4.416
+  105MET     CE 1559   3.435   3.333   4.237
+  105MET    HE1 1560   3.480   3.251   4.202
+  105MET    HE2 1561   3.340   3.335   4.205
+  105MET    HE3 1562   3.484   3.414   4.206
+  105MET      C 1563   2.990   3.593   4.373
+  105MET      O 1564   2.988   3.554   4.254
+  106ASN      N 1565   2.888   3.646   4.441
+  106ASN      H 1566   2.901   3.681   4.533
+  106ASN     CA 1567   2.754   3.652   4.377
+  106ASN     HA 1568   2.736   3.559   4.344
+  106ASN     CB 1569   2.640   3.677   4.475
+  106ASN    HB1 1570   2.663   3.756   4.533
+  106ASN    HB2 1571   2.556   3.696   4.425
+  106ASN     CG 1572   2.619   3.556   4.564
+  106ASN    OD1 1573   2.582   3.449   4.511
+  106ASN    ND2 1574   2.652   3.567   4.693
+  106ASN   HD21 1575   2.690   3.653   4.727
+  106ASN   HD22 1576   2.640   3.489   4.754
+  106ASN      C 1577   2.755   3.745   4.256
+  106ASN      O 1578   2.666   3.737   4.169
+  107ALA      N 1579   2.860   3.827   4.247
+  107ALA      H 1580   2.926   3.829   4.322
+  107ALA     CA 1581   2.880   3.913   4.130
+  107ALA     HA 1582   2.796   3.967   4.123
+  107ALA     CB 1583   3.004   3.999   4.155
+  107ALA    HB1 1584   3.019   4.059   4.076
+  107ALA    HB2 1585   2.990   4.055   4.237
+  107ALA    HB3 1586   3.084   3.940   4.168
+  107ALA      C 1587   2.899   3.836   4.000
+  107ALA      O 1588   2.871   3.891   3.893
+  108TRP      N 1589   2.935   3.708   4.010
+  108TRP      H 1590   2.952   3.669   4.101
+  108TRP     CA 1591   2.951   3.624   3.891
+  108TRP     HA 1592   2.956   3.685   3.812
+  108TRP     CB 1593   3.082   3.545   3.901
+  108TRP    HB1 1594   3.093   3.508   3.993
+  108TRP    HB2 1595   3.081   3.469   3.835
+  108TRP     CG 1596   3.198   3.636   3.870
+  108TRP    CD1 1597   3.234   3.685   3.747
+  108TRP    HD1 1598   3.190   3.662   3.660
+  108TRP    CD2 1599   3.278   3.706   3.966
+  108TRP    NE1 1600   3.339   3.772   3.762
+  108TRP    HE1 1601   3.387   3.818   3.687
+  108TRP    CE2 1602   3.369   3.786   3.894
+  108TRP    CE3 1603   3.281   3.705   4.105
+  108TRP    HE3 1604   3.217   3.649   4.157
+  108TRP    CZ2 1605   3.466   3.860   3.959
+  108TRP    HZ2 1606   3.533   3.914   3.907
+  108TRP    CZ3 1607   3.375   3.782   4.170
+  108TRP    HZ3 1608   3.378   3.784   4.270
+  108TRP    CH2 1609   3.467   3.858   4.097
+  108TRP    HH2 1610   3.535   3.912   4.146
+  108TRP      C 1611   2.830   3.531   3.878
+  108TRP      O 1612   2.822   3.444   3.966
+  109VAL      N 1613   2.747   3.554   3.777
+  109VAL      H 1614   2.766   3.625   3.709
+  109VAL     CA 1615   2.625   3.472   3.769
+  109VAL     HA 1616   2.585   3.480   3.861
+  109VAL     CB 1617   2.513   3.528   3.681
+  109VAL     HB 1618   2.488   3.616   3.723
+  109VAL    CG1 1619   2.559   3.553   3.539
+  109VAL   HG11 1620   2.483   3.589   3.485
+  109VAL   HG12 1621   2.634   3.618   3.539
+  109VAL   HG13 1622   2.589   3.466   3.498
+  109VAL    CG2 1623   2.388   3.440   3.681
+  109VAL   HG21 1624   2.319   3.482   3.622
+  109VAL   HG22 1625   2.412   3.350   3.646
+  109VAL   HG23 1626   2.352   3.432   3.774
+  109VAL      C 1627   2.655   3.323   3.755
+  109VAL      O 1628   2.590   3.243   3.826
+  110ALA      N 1629   2.754   3.293   3.674
+  110ALA      H 1630   2.805   3.368   3.632
+  110ALA     CA 1631   2.795   3.155   3.643
+  110ALA     HA 1632   2.710   3.111   3.615
+  110ALA     CB 1633   2.884   3.140   3.521
+  110ALA    HB1 1634   2.906   3.043   3.509
+  110ALA    HB2 1635   2.836   3.174   3.441
+  110ALA    HB3 1636   2.968   3.192   3.535
+  110ALA      C 1637   2.848   3.086   3.768
+  110ALA      O 1638   2.818   2.967   3.784
+  111TRP      N 1639   2.910   3.160   3.856
+  111TRP      H 1640   2.929   3.256   3.833
+  111TRP     CA 1641   2.953   3.112   3.987
+  111TRP     HA 1642   3.009   3.031   3.967
+  111TRP     CB 1643   3.047   3.207   4.060
+  111TRP    HB1 1644   3.130   3.220   4.006
+  111TRP    HB2 1645   3.001   3.295   4.073
+  111TRP     CG 1646   3.084   3.152   4.192
+  111TRP    CD1 1647   3.184   3.060   4.216
+  111TRP    HD1 1648   3.247   3.025   4.146
+  111TRP    CD2 1649   3.018   3.171   4.317
+  111TRP    NE1 1650   3.183   3.021   4.348
+  111TRP    HE1 1651   3.248   2.958   4.391
+  111TRP    CE2 1652   3.078   3.084   4.410
+  111TRP    CE3 1653   2.916   3.258   4.358
+  111TRP    HE3 1654   2.871   3.318   4.292
+  111TRP    CZ2 1655   3.047   3.090   4.545
+  111TRP    HZ2 1656   3.099   3.038   4.613
+  111TRP    CZ3 1657   2.880   3.257   4.491
+  111TRP    HZ3 1658   2.807   3.319   4.522
+  111TRP    CH2 1659   2.942   3.173   4.583
+  111TRP    HH2 1660   2.911   3.172   4.678
+  111TRP      C 1661   2.832   3.070   4.072
+  111TRP      O 1662   2.826   2.961   4.131
+  112ARG      N 1663   2.742   3.166   4.090
+  112ARG      H 1664   2.760   3.256   4.052
+  112ARG     CA 1665   2.617   3.145   4.162
+  112ARG     HA 1666   2.648   3.135   4.257
+  112ARG     CB 1667   2.519   3.261   4.161
+  112ARG    HB1 1668   2.471   3.255   4.074
+  112ARG    HB2 1669   2.455   3.243   4.236
+  112ARG     CG 1670   2.557   3.406   4.176
+  112ARG    HG1 1671   2.609   3.418   4.261
+  112ARG    HG2 1672   2.614   3.433   4.098
+  112ARG     CD 1673   2.435   3.492   4.180
+  112ARG    HD1 1674   2.366   3.447   4.237
+  112ARG    HD2 1675   2.458   3.580   4.221
+  112ARG     NE 1676   2.376   3.517   4.051
+  112ARG     HE 1677   2.328   3.440   4.008
+  112ARG     CZ 1678   2.377   3.632   3.981
+  112ARG    NH1 1679   2.458   3.734   4.005
+  112ARG   HH11 1680   2.524   3.729   4.080
+  112ARG   HH12 1681   2.452   3.816   3.949
+  112ARG    NH2 1682   2.270   3.663   3.907
+  112ARG   HH21 1683   2.191   3.601   3.904
+  112ARG   HH22 1684   2.269   3.748   3.854
+  112ARG      C 1685   2.545   3.021   4.106
+  112ARG      O 1686   2.498   2.941   4.189
+  113ASN      N 1687   2.529   3.014   3.974
+  113ASN      H 1688   2.574   3.081   3.915
+  113ASN     CA 1689   2.444   2.908   3.916
+  113ASN     HA 1690   2.364   2.909   3.975
+  113ASN     CB 1691   2.395   2.940   3.775
+  113ASN    HB1 1692   2.474   2.961   3.718
+  113ASN    HB2 1693   2.348   2.859   3.740
+  113ASN     CG 1694   2.298   3.058   3.769
+  113ASN    OD1 1695   2.243   3.096   3.873
+  113ASN    ND2 1696   2.282   3.118   3.651
+  113ASN   HD21 1697   2.332   3.084   3.571
+  113ASN   HD22 1698   2.220   3.195   3.643
+  113ASN      C 1699   2.509   2.770   3.926
+  113ASN      O 1700   2.443   2.667   3.948
+  114ARG      N 1701   2.638   2.766   3.902
+  114ARG      H 1702   2.689   2.852   3.907
+  114ARG     CA 1703   2.714   2.646   3.871
+  114ARG     HA 1704   2.647   2.573   3.888
+  114ARG     CB 1705   2.760   2.653   3.725
+  114ARG    HB1 1706   2.796   2.744   3.704
+  114ARG    HB2 1707   2.832   2.585   3.708
+  114ARG     CG 1708   2.638   2.623   3.637
+  114ARG    HG1 1709   2.592   2.541   3.670
+  114ARG    HG2 1710   2.574   2.700   3.642
+  114ARG     CD 1711   2.671   2.602   3.494
+  114ARG    HD1 1712   2.745   2.535   3.486
+  114ARG    HD2 1713   2.591   2.568   3.445
+  114ARG     NE 1714   2.713   2.730   3.437
+  114ARG     HE 1715   2.770   2.790   3.493
+  114ARG     CZ 1716   2.681   2.770   3.313
+  114ARG    NH1 1717   2.636   2.685   3.221
+  114ARG   HH11 1718   2.626   2.588   3.244
+  114ARG   HH12 1719   2.612   2.717   3.130
+  114ARG    NH2 1720   2.671   2.901   3.287
+  114ARG   HH21 1721   2.689   2.968   3.360
+  114ARG   HH22 1722   2.647   2.932   3.196
+  114ARG      C 1723   2.824   2.606   3.966
+  114ARG      O 1724   2.849   2.484   3.977
+  115CYS      N 1725   2.872   2.699   4.044
+  115CYS      H 1726   2.835   2.792   4.041
+  115CYS     CA 1727   2.982   2.666   4.138
+  115CYS     HA 1728   3.010   2.572   4.119
+  115CYS     CB 1729   3.097   2.764   4.110
+  115CYS    HB1 1730   3.061   2.853   4.136
+  115CYS    HB2 1731   3.170   2.737   4.173
+  115CYS     SG 1732   3.154   2.763   3.941
+  115CYS      C 1733   2.943   2.655   4.283
+  115CYS      O 1734   2.995   2.574   4.361
+  116LYS      N 1735   2.869   2.754   4.329
+  116LYS      H 1736   2.837   2.822   4.264
+  116LYS     CA 1737   2.831   2.771   4.470
+  116LYS     HA 1738   2.913   2.781   4.527
+  116LYS     CB 1739   2.747   2.898   4.480
+  116LYS    HB1 1740   2.805   2.977   4.458
+  116LYS    HB2 1741   2.672   2.893   4.414
+  116LYS     CG 1742   2.691   2.913   4.622
+  116LYS    HG1 1743   2.661   2.824   4.655
+  116LYS    HG2 1744   2.763   2.948   4.682
+  116LYS     CD 1745   2.572   3.010   4.622
+  116LYS    HD1 1746   2.586   3.080   4.552
+  116LYS    HD2 1747   2.488   2.960   4.604
+  116LYS     CE 1748   2.564   3.077   4.759
+  116LYS    HE1 1749   2.560   3.006   4.830
+  116LYS    HE2 1750   2.645   3.134   4.773
+  116LYS     NZ 1751   2.443   3.163   4.772
+  116LYS    HZ1 1752   2.442   3.205   4.863
+  116LYS    HZ2 1753   2.446   3.235   4.702
+  116LYS    HZ3 1754   2.361   3.108   4.759
+  116LYS      C 1755   2.761   2.644   4.519
+  116LYS      O 1756   2.680   2.585   4.446
+  117GLY      N 1757   2.813   2.594   4.631
+  117GLY      H 1758   2.893   2.637   4.672
+  117GLY     CA 1759   2.754   2.475   4.694
+  117GLY    HA1 1760   2.776   2.479   4.791
+  117GLY    HA2 1761   2.655   2.481   4.682
+  117GLY      C 1762   2.800   2.340   4.640
+  117GLY      O 1763   2.748   2.235   4.683
+  118THR      N 1764   2.887   2.342   4.541
+  118THR      H 1765   2.915   2.431   4.503
+  118THR     CA 1766   2.945   2.220   4.484
+  118THR     HA 1767   2.887   2.144   4.515
+  118THR     CB 1768   2.942   2.219   4.327
+  118THR     HB 1769   2.955   2.128   4.286
+  118THR    OG1 1770   3.054   2.302   4.283
+  118THR    HG1 1771   3.056   2.305   4.183
+  118THR    CG2 1772   2.808   2.272   4.274
+  118THR   HG21 1773   2.808   2.271   4.174
+  118THR   HG22 1774   2.733   2.215   4.308
+  118THR   HG23 1775   2.794   2.366   4.306
+  118THR      C 1776   3.085   2.200   4.543
+  118THR      O 1777   3.130   2.274   4.632
+  119ASP      N 1778   3.137   2.083   4.510
+  119ASP      H 1779   3.080   2.018   4.460
+  119ASP     CA 1780   3.275   2.045   4.543
+  119ASP     HA 1781   3.294   2.075   4.636
+  119ASP     CB 1782   3.291   1.893   4.541
+  119ASP    HB1 1783   3.227   1.853   4.606
+  119ASP    HB2 1784   3.272   1.859   4.449
+  119ASP     CG 1785   3.433   1.852   4.579
+  119ASP    OD1 1786   3.503   1.925   4.650
+  119ASP    OD2 1787   3.470   1.737   4.547
+  119ASP      C 1788   3.369   2.116   4.445
+  119ASP      O 1789   3.416   2.057   4.345
+  120VAL      N 1790   3.397   2.241   4.476
+  120VAL      H 1791   3.354   2.280   4.558
+  120VAL     CA 1792   3.487   2.326   4.398
+  120VAL     HA 1793   3.454   2.308   4.305
+  120VAL     CB 1794   3.470   2.475   4.430
+  120VAL     HB 1795   3.538   2.527   4.377
+  120VAL    CG1 1796   3.334   2.527   4.385
+  120VAL   HG11 1797   3.326   2.625   4.408
+  120VAL   HG12 1798   3.324   2.515   4.287
+  120VAL   HG13 1799   3.261   2.477   4.432
+  120VAL    CG2 1800   3.507   2.510   4.572
+  120VAL   HG21 1801   3.494   2.608   4.587
+  120VAL   HG22 1802   3.448   2.459   4.635
+  120VAL   HG23 1803   3.602   2.486   4.589
+  120VAL      C 1804   3.632   2.282   4.397
+  120VAL      O 1805   3.708   2.322   4.308
+  121GLN      N 1806   3.668   2.205   4.498
+  121GLN      H 1807   3.603   2.190   4.572
+  121GLN     CA 1808   3.800   2.140   4.506
+  121GLN     HA 1809   3.869   2.213   4.501
+  121GLN     CB 1810   3.807   2.067   4.640
+  121GLN    HB1 1811   3.754   2.117   4.709
+  121GLN    HB2 1812   3.770   1.974   4.630
+  121GLN     CG 1813   3.951   2.058   4.684
+  121GLN    HG1 1814   3.993   1.977   4.643
+  121GLN    HG2 1815   4.000   2.140   4.653
+  121GLN     CD 1816   3.960   2.050   4.834
+  121GLN    OE1 1817   4.035   2.125   4.895
+  121GLN    NE2 1818   3.886   1.949   4.882
+  121GLN   HE21 1819   3.835   1.891   4.819
+  121GLN   HE22 1820   3.883   1.932   4.981
+  121GLN      C 1821   3.830   2.048   4.388
+  121GLN      O 1822   3.946   2.029   4.349
+  122ALA      N 1823   3.728   1.989   4.325
+  122ALA      H 1824   3.638   1.995   4.368
+  122ALA     CA 1825   3.737   1.917   4.198
+  122ALA     HA 1826   3.786   1.833   4.223
+  122ALA     CB 1827   3.598   1.886   4.145
+  122ALA    HB1 1828   3.605   1.837   4.059
+  122ALA    HB2 1829   3.549   1.830   4.212
+  122ALA    HB3 1830   3.548   1.972   4.131
+  122ALA      C 1831   3.817   1.991   4.090
+  122ALA      O 1832   3.901   1.933   4.019
+  123TRP      N 1833   3.800   2.124   4.091
+  123TRP      H 1834   3.739   2.164   4.159
+  123TRP     CA 1835   3.868   2.212   3.995
+  123TRP     HA 1836   3.856   2.168   3.906
+  123TRP     CB 1837   3.801   2.349   4.002
+  123TRP    HB1 1838   3.799   2.382   4.096
+  123TRP    HB2 1839   3.850   2.414   3.944
+  123TRP     CG 1840   3.660   2.335   3.952
+  123TRP    CD1 1841   3.546   2.323   4.026
+  123TRP    HD1 1842   3.543   2.324   4.126
+  123TRP    CD2 1843   3.622   2.317   3.815
+  123TRP    NE1 1844   3.438   2.308   3.944
+  123TRP    HE1 1845   3.343   2.303   3.975
+  123TRP    CE2 1846   3.481   2.301   3.815
+  123TRP    CE3 1847   3.693   2.309   3.695
+  123TRP    HE3 1848   3.793   2.313   3.694
+  123TRP    CZ2 1849   3.409   2.280   3.698
+  123TRP    HZ2 1850   3.310   2.270   3.699
+  123TRP    CZ3 1851   3.620   2.295   3.578
+  123TRP    HZ3 1852   3.668   2.299   3.491
+  123TRP    CH2 1853   3.481   2.275   3.580
+  123TRP    HH2 1854   3.434   2.256   3.494
+  123TRP      C 1855   4.020   2.220   4.006
+  123TRP      O 1856   4.089   2.256   3.908
+  124ILE      N 1857   4.072   2.189   4.122
+  124ILE      H 1858   4.011   2.163   4.197
+  124ILE     CA 1859   4.217   2.191   4.147
+  124ILE     HA 1860   4.255   2.213   4.057
+  124ILE     CB 1861   4.248   2.302   4.253
+  124ILE     HB 1862   4.347   2.312   4.266
+  124ILE    CG1 1863   4.194   2.260   4.390
+  124ILE   HG11 1864   4.101   2.297   4.398
+  124ILE   HG12 1865   4.190   2.160   4.392
+  124ILE    CG2 1866   4.200   2.442   4.206
+  124ILE   HG21 1867   4.222   2.511   4.276
+  124ILE   HG22 1868   4.247   2.466   4.120
+  124ILE   HG23 1869   4.102   2.440   4.191
+  124ILE     CD 1870   4.271   2.306   4.516
+  124ILE    HD1 1871   4.225   2.272   4.598
+  124ILE    HD2 1872   4.364   2.269   4.513
+  124ILE    HD3 1873   4.274   2.406   4.519
+  124ILE      C 1874   4.284   2.058   4.169
+  124ILE      O 1875   4.408   2.051   4.180
+  125ARG      N 1876   4.206   1.952   4.180
+  125ARG      H 1877   4.107   1.965   4.175
+  125ARG     CA 1878   4.257   1.815   4.199
+  125ARG     HA 1879   4.320   1.818   4.277
+  125ARG     CB 1880   4.146   1.717   4.232
+  125ARG    HB1 1881   4.065   1.741   4.178
+  125ARG    HB2 1882   4.176   1.625   4.208
+  125ARG     CG 1883   4.110   1.722   4.382
+  125ARG    HG1 1884   4.193   1.720   4.437
+  125ARG    HG2 1885   4.058   1.805   4.402
+  125ARG     CD 1886   4.026   1.601   4.415
+  125ARG    HD1 1887   3.979   1.568   4.333
+  125ARG    HD2 1888   4.083   1.529   4.453
+  125ARG     NE 1889   3.926   1.637   4.514
+  125ARG     HE 1890   3.961   1.646   4.607
+  125ARG     CZ 1891   3.796   1.661   4.500
+  125ARG    NH1 1892   3.731   1.631   4.388
+  125ARG   HH11 1893   3.781   1.589   4.311
+  125ARG   HH12 1894   3.634   1.650   4.380
+  125ARG    NH2 1895   3.737   1.717   4.606
+  125ARG   HH21 1896   3.791   1.737   4.688
+  125ARG   HH22 1897   3.639   1.738   4.604
+  125ARG      C 1898   4.329   1.773   4.071
+  125ARG      O 1899   4.282   1.796   3.958
+  126GLY      N 1900   4.448   1.719   4.091
+  126GLY      H 1901   4.484   1.712   4.184
+  126GLY     CA 1902   4.527   1.668   3.977
+  126GLY    HA1 1903   4.572   1.583   4.005
+  126GLY    HA2 1904   4.465   1.649   3.901
+  126GLY      C 1905   4.631   1.769   3.933
+  126GLY      O 1906   4.720   1.735   3.852
+  127CYS      N 1907   4.632   1.884   3.997
+  127CYS      H 1908   4.567   1.897   4.072
+  127CYS     CA 1909   4.721   1.995   3.963
+  127CYS     HA 1910   4.756   1.979   3.871
+  127CYS     CB 1911   4.643   2.125   3.966
+  127CYS    HB1 1912   4.619   2.133   4.063
+  127CYS    HB2 1913   4.713   2.193   3.944
+  127CYS     SG 1914   4.499   2.144   3.861
+  127CYS      C 1915   4.840   2.000   4.060
+  127CYS      O 1916   4.819   1.989   4.181
+  128ARG      N 1917   4.957   2.031   4.006
+  128ARG      H 1918   4.964   2.037   3.907
+  128ARG     CA 1919   5.075   2.058   4.089
+  128ARG     HA 1920   5.064   2.009   4.175
+  128ARG     CB 1921   5.203   1.992   4.038
+  128ARG    HB1 1922   5.198   1.987   3.938
+  128ARG    HB2 1923   5.281   2.049   4.065
+  128ARG     CG 1924   5.221   1.851   4.095
+  128ARG    HG1 1925   5.132   1.805   4.101
+  128ARG    HG2 1926   5.282   1.798   4.035
+  128ARG     CD 1927   5.281   1.853   4.232
+  128ARG    HD1 1928   5.233   1.921   4.288
+  128ARG    HD2 1929   5.272   1.763   4.274
+  128ARG     NE 1930   5.423   1.888   4.231
+  128ARG     HE 1931   5.481   1.830   4.174
+  128ARG     CZ 1932   5.484   1.988   4.295
+  128ARG    NH1 1933   5.422   2.069   4.382
+  128ARG   HH11 1934   5.325   2.056   4.401
+  128ARG   HH12 1935   5.473   2.142   4.428
+  128ARG    NH2 1936   5.611   2.017   4.264
+  128ARG   HH21 1937   5.659   1.965   4.194
+  128ARG   HH22 1938   5.658   2.092   4.312
+  128ARG      C 1939   5.080   2.206   4.125
+  128ARG      O 1940   5.096   2.291   4.036
+  129LEU      N 1941   5.027   2.233   4.244
+  129LEU      H 1942   4.999   2.157   4.302
+  129LEU     CA 1943   5.007   2.370   4.294
+  129LEU     HA 1944   5.026   2.434   4.219
+  129LEU     CB 1945   4.862   2.396   4.332
+  129LEU    HB1 1946   4.823   2.308   4.360
+  129LEU    HB2 1947   4.861   2.458   4.409
+  129LEU     CG 1948   4.767   2.454   4.229
+  129LEU     HG 1949   4.768   2.553   4.239
+  129LEU    CD1 1950   4.809   2.428   4.086
+  129LEU   HD11 1951   4.743   2.469   4.024
+  129LEU   HD12 1952   4.899   2.468   4.070
+  129LEU   HD13 1953   4.814   2.329   4.070
+  129LEU    CD2 1954   4.629   2.394   4.256
+  129LEU   HD21 1955   4.564   2.431   4.189
+  129LEU   HD22 1956   4.633   2.295   4.247
+  129LEU   HD23 1957   4.600   2.419   4.348
+  129LEU      C 1958   5.110   2.400   4.404
+  129LEU     O1 1959   5.071   2.390   4.523
+  129LEU     O2 1960   5.221   2.430   4.358
+  130HOH     OW 1961   3.241   5.168   3.001
+  130HOH    HW1 1962   3.323   5.168   3.059
+  130HOH    HW2 1963   3.160   5.168   3.059
+  131HOH     OW 1964   4.097   3.804   3.062
+  131HOH    HW1 1965   4.179   3.804   3.120
+  131HOH    HW2 1966   4.097   3.885   3.005
+  132HOH     OW 1967   3.923   2.496   4.646
+  132HOH    HW1 1968   4.005   2.496   4.703
+  132HOH    HW2 1969   3.923   2.414   4.588
+  133HOH     OW 1970   3.136   5.395   2.850
+  133HOH    HW1 1971   3.055   5.395   2.908
+  133HOH    HW2 1972   3.136   5.477   2.793
+  134HOH     OW 1973   3.822   3.924   3.300
+  134HOH    HW1 1974   3.740   3.924   3.358
+  134HOH    HW2 1975   3.822   3.842   3.242
+  135HOH     OW 1976   3.844   4.938   2.618
+  135HOH    HW1 1977   3.844   5.020   2.560
+  135HOH    HW2 1978   3.844   4.856   2.560
+  136HOH     OW 1979   2.979   4.793   2.559
+  136HOH    HW1 1980   3.060   4.793   2.617
+  136HOH    HW2 1981   2.897   4.793   2.617
+  137HOH     OW 1982   5.030   2.947   3.529
+  137HOH    HW1 1983   5.111   2.947   3.587
+  137HOH    HW2 1984   5.030   3.029   3.471
+  138HOH     OW 1985   4.368   4.068   3.263
+  138HOH    HW1 1986   4.449   4.068   3.321
+  138HOH    HW2 1987   4.368   3.986   3.205
+  139HOH     OW 1988   3.585   2.892   5.017
+  139HOH    HW1 1989   3.503   2.892   5.074
+  139HOH    HW2 1990   3.585   2.973   4.959
+  140HOH     OW 1991   4.111   2.267   3.085
+  140HOH    HW1 1992   4.029   2.267   3.143
+  140HOH    HW2 1993   4.111   2.185   3.028
+  141HOH     OW 1994   3.245   5.166   3.430
+  141HOH    HW1 1995   3.245   5.248   3.372
+  141HOH    HW2 1996   3.245   5.084   3.372
+  142HOH     OW 1997   3.037   5.714   2.563
+  142HOH    HW1 1998   3.119   5.714   2.621
+  142HOH    HW2 1999   2.955   5.714   2.621
+  143HOH     OW 2000   4.347   3.820   3.093
+  143HOH    HW1 2001   4.429   3.820   3.151
+  143HOH    HW2 2002   4.347   3.901   3.035
+  144HOH     OW 2003   2.540   4.576   3.314
+  144HOH    HW1 2004   2.622   4.576   3.372
+  144HOH    HW2 2005   2.540   4.494   3.257
+  145HOH     OW 2006   3.035   4.155   4.562
+  145HOH    HW1 2007   2.954   4.155   4.619
+  145HOH    HW2 2008   3.035   4.236   4.504
+  146HOH     OW 2009   5.003   2.416   3.666
+  146HOH    HW1 2010   4.921   2.416   3.724
+  146HOH    HW2 2011   5.003   2.334   3.608
+  147HOH     OW 2012   4.177   4.731   3.923
+  147HOH    HW1 2013   4.177   4.812   3.865
+  147HOH    HW2 2014   4.177   4.649   3.865
+  148HOH     OW 2015   5.863   2.058   4.301
+  148HOH    HW1 2016   5.944   2.058   4.359
+  148HOH    HW2 2017   5.781   2.058   4.359
+  149HOH     OW 2018   2.343   4.652   2.333
+  149HOH    HW1 2019   2.425   4.652   2.391
+  149HOH    HW2 2020   2.343   4.734   2.275
+  150HOH     OW 2021   3.191   2.246   4.071
+  150HOH    HW1 2022   3.273   2.246   4.129
+  150HOH    HW2 2023   3.191   2.164   4.014
+  151HOH     OW 2024   2.499   3.011   3.447
+  151HOH    HW1 2025   2.418   3.011   3.505
+  151HOH    HW2 2026   2.499   3.093   3.389
+  152HOH     OW 2027   2.111   3.321   3.971
+  152HOH    HW1 2028   2.029   3.321   4.029
+  152HOH    HW2 2029   2.111   3.239   3.914
+  153HOH     OW 2030   2.466   5.054   3.086
+  153HOH    HW1 2031   2.466   5.136   3.028
+  153HOH    HW2 2032   2.466   4.973   3.028
+  154HOH     OW 2033   1.963   3.585   4.010
+  154HOH    HW1 2034   2.045   3.585   4.068
+  154HOH    HW2 2035   1.882   3.585   4.068
+  155HOH     OW 2036   5.305   2.960   3.952
+  155HOH    HW1 2037   5.387   2.960   4.010
+  155HOH    HW2 2038   5.305   3.041   3.894
+  156HOH     OW 2039   4.101   2.470   2.856
+  156HOH    HW1 2040   4.183   2.470   2.914
+  156HOH    HW2 2041   4.101   2.388   2.798
+  157HOH     OW 2042   4.540   3.123   5.184
+  157HOH    HW1 2043   4.459   3.123   5.242
+  157HOH    HW2 2044   4.540   3.205   5.127
+  158HOH     OW 2045   4.692   4.212   3.298
+  158HOH    HW1 2046   4.610   4.212   3.356
+  158HOH    HW2 2047   4.692   4.131   3.241
+  159HOH     OW 2048   3.969   5.436   3.038
+  159HOH    HW1 2049   3.969   5.518   2.980
+  159HOH    HW2 2050   3.969   5.354   2.980
+  160HOH     OW 2051   3.290   5.599   2.902
+  160HOH    HW1 2052   3.372   5.599   2.959
+  160HOH    HW2 2053   3.209   5.599   2.959
+  161HOH     OW 2054   4.281   4.587   3.730
+  161HOH    HW1 2055   4.363   4.587   3.787
+  161HOH    HW2 2056   4.281   4.669   3.672
+  162HOH     OW 2057   3.859   5.235   2.707
+  162HOH    HW1 2058   3.941   5.235   2.765
+  162HOH    HW2 2059   3.859   5.153   2.649
+  163HOH     OW 2060   3.254   1.961   4.108
+  163HOH    HW1 2061   3.173   1.961   4.165
+  163HOH    HW2 2062   3.254   2.043   4.050
+  164HOH     OW 2063   4.049   5.398   3.249
+  164HOH    HW1 2064   3.967   5.398   3.306
+  164HOH    HW2 2065   4.049   5.317   3.191
+  165HOH     OW 2066   3.086   4.116   2.166
+  165HOH    HW1 2067   3.086   4.197   2.108
+  165HOH    HW2 2068   3.086   4.034   2.108
+  166HOH     OW 2069   4.674   3.253   4.645
+  166HOH    HW1 2070   4.756   3.253   4.703
+  166HOH    HW2 2071   4.593   3.253   4.703
+  167HOH     OW 2072   5.132   2.910   4.183
+  167HOH    HW1 2073   5.213   2.910   4.241
+  167HOH    HW2 2074   5.132   2.992   4.126
+  168HOH     OW 2075   3.232   5.136   3.231
+  168HOH    HW1 2076   3.314   5.136   3.289
+  168HOH    HW2 2077   3.232   5.054   3.173
+  169HOH     OW 2078   3.196   4.084   4.979
+  169HOH    HW1 2079   3.115   4.084   5.037
+  169HOH    HW2 2080   3.196   4.166   4.922
+  170HOH     OW 2081   3.976   1.941   3.316
+  170HOH    HW1 2082   3.894   1.941   3.373
+  170HOH    HW2 2083   3.976   1.860   3.258
+  171HOH     OW 2084   5.195   2.628   4.166
+  171HOH    HW1 2085   5.195   2.709   4.108
+  171HOH    HW2 2086   5.195   2.546   4.108
+  172HOH     OW 2087   4.591   2.957   2.358
+  172HOH    HW1 2088   4.672   2.957   2.415
+  172HOH    HW2 2089   4.509   2.957   2.415
+  173HOH     OW 2090   4.439   3.747   2.509
+  173HOH    HW1 2091   4.521   3.747   2.567
+  173HOH    HW2 2092   4.439   3.829   2.452
+  174HOH     OW 2093   4.641   4.416   3.088
+  174HOH    HW1 2094   4.722   4.416   3.146
+  174HOH    HW2 2095   4.641   4.334   3.031
+  175HOH     OW 2096   4.630   2.021   4.413
+  175HOH    HW1 2097   4.548   2.021   4.470
+  175HOH    HW2 2098   4.630   2.103   4.355
+  176HOH     OW 2099   1.829   4.833   2.512
+  176HOH    HW1 2100   1.748   4.833   2.570
+  176HOH    HW2 2101   1.829   4.751   2.455
+  177HOH     OW 2102   4.895   3.538   3.401
+  177HOH    HW1 2103   4.895   3.620   3.344
+  177HOH    HW2 2104   4.895   3.456   3.344
+  178HOH     OW 2105   3.111   4.189   3.613
+  178HOH    HW1 2106   3.192   4.189   3.670
+  178HOH    HW2 2107   3.029   4.189   3.670
+  179HOH     OW 2108   3.122   2.743   4.667
+  179HOH    HW1 2109   3.204   2.743   4.725
+  179HOH    HW2 2110   3.122   2.825   4.609
+  180HOH     OW 2111   4.971   2.084   3.696
+  180HOH    HW1 2112   5.053   2.084   3.754
+  180HOH    HW2 2113   4.971   2.003   3.638
+  181HOH     OW 2114   2.148   2.689   4.077
+  181HOH    HW1 2115   2.066   2.689   4.134
+  181HOH    HW2 2116   2.148   2.770   4.019
+  182HOH     OW 2117   2.935   4.024   3.432
+  182HOH    HW1 2118   2.854   4.024   3.489
+  182HOH    HW2 2119   2.935   3.942   3.374
+  183HOH     OW 2120   3.177   2.708   3.000
+  183HOH    HW1 2121   3.177   2.790   2.942
+  183HOH    HW2 2122   3.177   2.627   2.942
+  184HOH     OW 2123   3.212   4.343   5.179
+  184HOH    HW1 2124   3.293   4.343   5.237
+  184HOH    HW2 2125   3.130   4.343   5.237
+  185HOH     OW 2126   3.165   5.031   4.492
+  185HOH    HW1 2127   3.247   5.031   4.549
+  185HOH    HW2 2128   3.165   5.113   4.434
+  186HOH     OW 2129   4.295   4.473   4.351
+  186HOH    HW1 2130   4.376   4.473   4.408
+  186HOH    HW2 2131   4.295   4.392   4.293
+  187HOH     OW 2132   2.855   3.704   3.525
+  187HOH    HW1 2133   2.774   3.704   3.583
+  187HOH    HW2 2134   2.855   3.786   3.467
+  188HOH     OW 2135   2.377   2.729   4.393
+  188HOH    HW1 2136   2.295   2.729   4.451
+  188HOH    HW2 2137   2.377   2.648   4.335
+  189HOH     OW 2138   2.809   3.964   2.202
+  189HOH    HW1 2139   2.809   4.046   2.145
+  189HOH    HW2 2140   2.809   3.883   2.145
+  190HOH     OW 2141   2.628   5.068   2.422
+  190HOH    HW1 2142   2.710   5.068   2.479
+  190HOH    HW2 2143   2.547   5.068   2.479
+  191HOH     OW 2144   2.518   2.612   4.225
+  191HOH    HW1 2145   2.599   2.612   4.282
+  191HOH    HW2 2146   2.518   2.694   4.167
+  192HOH     OW 2147   2.633   5.797   2.959
+  192HOH    HW1 2148   2.714   5.797   3.017
+  192HOH    HW2 2149   2.633   5.715   2.901
+  193HOH     OW 2150   2.397   4.292   3.243
+  193HOH    HW1 2151   2.316   4.292   3.301
+  193HOH    HW2 2152   2.397   4.374   3.185
+  194HOH     OW 2153   3.718   5.639   3.352
+  194HOH    HW1 2154   3.636   5.639   3.410
+  194HOH    HW2 2155   3.718   5.558   3.294
+  195HOH     OW 2156   3.846   2.548   2.756
+  195HOH    HW1 2157   3.846   2.630   2.699
+  195HOH    HW2 2158   3.846   2.467   2.699
+  196HOH     OW 2159   3.259   5.643   3.928
+  196HOH    HW1 2160   3.341   5.643   3.986
+  196HOH    HW2 2161   3.178   5.643   3.986
+  197HOH     OW 2162   4.955   3.380   3.031
+  197HOH    HW1 2163   5.037   3.380   3.089
+  197HOH    HW2 2164   4.955   3.462   2.973
+  198HOH     OW 2165   2.145   4.348   3.044
+  198HOH    HW1 2166   2.227   4.348   3.102
+  198HOH    HW2 2167   2.145   4.266   2.987
+  199HOH     OW 2168   2.566   2.521   3.084
+  199HOH    HW1 2169   2.485   2.521   3.142
+  199HOH    HW2 2170   2.566   2.603   3.026
+  200HOH     OW 2171   3.651   4.968   2.381
+  200HOH    HW1 2172   3.570   4.968   2.439
+  200HOH    HW2 2173   3.651   4.886   2.323
+  201HOH     OW 2174   3.487   4.759   4.823
+  201HOH    HW1 2175   3.487   4.841   4.766
+  201HOH    HW2 2176   3.487   4.678   4.766
+  202HOH     OW 2177   3.377   3.680   5.273
+  202HOH    HW1 2178   3.459   3.680   5.331
+  202HOH    HW2 2179   3.295   3.680   5.331
+  203HOH     OW 2180   2.156   3.283   4.168
+  203HOH    HW1 2181   2.238   3.283   4.225
+  203HOH    HW2 2182   2.156   3.365   4.110
+  204HOH     OW 2183   2.867   3.537   3.182
+  204HOH    HW1 2184   2.948   3.537   3.240
+  204HOH    HW2 2185   2.867   3.455   3.124
+  205HOH     OW 2186   3.608   4.758   2.431
+  205HOH    HW1 2187   3.526   4.758   2.489
+  205HOH    HW2 2188   3.608   4.839   2.373
+  206HOH     OW 2189   4.624   2.125   4.667
+  206HOH    HW1 2190   4.542   2.125   4.725
+  206HOH    HW2 2191   4.624   2.044   4.609
+  207HOH     OW 2192   5.274   3.546   4.471
+  207HOH    HW1 2193   5.274   3.628   4.413
+  207HOH    HW2 2194   5.274   3.465   4.413
+  208G5E     C1 2195   6.456   3.250   2.707
+  208G5E     C2 2196   6.330   3.283   2.656
+  208G5E     C3 2197   6.321   3.361   2.541
+  208G5E     C7 2198   6.426   3.498   2.362
+  208G5E    C10 2199   6.449   3.677   2.236
+  208G5E    C12 2200   6.570   3.684   2.448
+  208G5E    C13 2201   6.707   3.692   2.422
+  208G5E    C14 2202   6.793   3.751   2.516
+  208G5E    C15 2203   6.742   3.801   2.635
+  208G5E    C16 2204   6.605   3.793   2.661
+  208G5E     C4 2205   6.438   3.406   2.478
+  208G5E     C5 2206   6.564   3.375   2.531
+  208G5E     C6 2207   6.572   3.297   2.645
+  208G5E     N8 2208   6.353   3.478   2.256
+  208G5E     N9 2209   6.368   3.590   2.173
+  208G5E    N11 2210   6.485   3.623   2.353
+  208G5E    C17 2211   6.519   3.734   2.568
+  208G5E    S18 2212   6.498   3.829   2.176
+  208G5E    F19 2213   6.755   3.642   2.306
+  208G5E    O20 2214   6.199   3.392   2.489
+  208G5E    O21 2215   6.465   3.175   2.819
+   7.33925   7.33925   7.33925
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/complex.top	Wed Apr 15 14:35:17 2020 -0400
@@ -0,0 +1,18615 @@
+;
+;	File 'topol.top' was generated
+;	By user: unknown (1000)
+;	On host: simon-notebook
+;	At date: Wed Aug 28 14:35:18 2019
+;
+;	This is a standalone topology file
+;
+;	Created by:
+;	                    :-) GROMACS - gmx pdb2gmx, 2019.1 (-:
+;	
+;	Executable:   /home/simon/miniconda3/envs/gmx/bin/gmx
+;	Data prefix:  /home/simon/miniconda3/envs/gmx
+;	Working dir:  /home/simon/Repos/galaxy-tools-compchem/tools/gromacs
+;	Command line:
+;	  gmx pdb2gmx -f test-data/1AKI.pdb -o processed.gro -p topol.top -i posres.itp -water spce -ff oplsaa -noignh
+;	Force field was read from the standard GROMACS share directory.
+;
+
+; Include forcefield parameters
+#include "oplsaa.ff/forcefield.itp"
+
+; Include ligand atomtypes
+[ atomtypes ]
+;name   bond_type     mass     charge   ptype   sigma         epsilon       Amb
+ C        C           0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ CZ       CZ          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ CK       CK          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ CM       CM          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ CD       CD          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ NB       NB          0.00000  0.00000   A     3.25000e-01   7.11280e-01 ; 1.82  0.1700
+ N*       N*          0.00000  0.00000   A     3.25000e-01   7.11280e-01 ; 1.82  0.1700
+ DU       DU          0.00000  0.00000   A     0.00000e+00   0.00000e+00 ; 0.00  0.0000
+ F        F           0.00000  0.00000   A     3.11815e-01   2.55224e-01 ; 1.75  0.0610
+ O        O           0.00000  0.00000   A     2.95992e-01   8.78640e-01 ; 1.66  0.2100
+
+[ moleculetype ]
+; Name            nrexcl
+Protein_chain_A     3
+
+[ atoms ]
+;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
+; residue   1 LYS rtp LYSH q +2.0
+     1   opls_287      1    LYS      N      1       -0.3    14.0027
+     2   opls_290      1    LYS     H1      1       0.33      1.008
+     3   opls_290      1    LYS     H2      1       0.33      1.008
+     4   opls_290      1    LYS     H3      1       0.33      1.008
+     5  opls_293B      1    LYS     CA      1       0.25     12.011
+     6   opls_140      1    LYS     HA      1       0.06      1.008
+     7   opls_136      1    LYS     CB      2      -0.12     12.011
+     8   opls_140      1    LYS    HB1      2       0.06      1.008
+     9   opls_140      1    LYS    HB2      2       0.06      1.008
+    10   opls_136      1    LYS     CG      3      -0.12     12.011
+    11   opls_140      1    LYS    HG1      3       0.06      1.008
+    12   opls_140      1    LYS    HG2      3       0.06      1.008
+    13   opls_136      1    LYS     CD      4      -0.12     12.011
+    14   opls_140      1    LYS    HD1      4       0.06      1.008
+    15   opls_140      1    LYS    HD2      4       0.06      1.008
+    16   opls_292      1    LYS     CE      5       0.19     12.011
+    17   opls_140      1    LYS    HE1      5       0.06      1.008
+    18   opls_140      1    LYS    HE2      5       0.06      1.008
+    19   opls_287      1    LYS     NZ      6       -0.3    14.0067
+    20   opls_290      1    LYS    HZ1      6       0.33      1.008
+    21   opls_290      1    LYS    HZ2      6       0.33      1.008
+    22   opls_290      1    LYS    HZ3      6       0.33      1.008
+    23   opls_235      1    LYS      C      7        0.5     12.011
+    24   opls_236      1    LYS      O      7       -0.5    15.9994   ; qtot 2
+; residue   2 VAL rtp VAL  q  0.0
+    25   opls_238      2    VAL      N      8       -0.5    14.0067
+    26   opls_241      2    VAL      H      8        0.3      1.008
+    27  opls_224B      2    VAL     CA      8       0.14     12.011
+    28   opls_140      2    VAL     HA      8       0.06      1.008
+    29   opls_137      2    VAL     CB      9      -0.06     12.011
+    30   opls_140      2    VAL     HB      9       0.06      1.008
+    31   opls_135      2    VAL    CG1     10      -0.18     12.011
+    32   opls_140      2    VAL   HG11     10       0.06      1.008
+    33   opls_140      2    VAL   HG12     10       0.06      1.008
+    34   opls_140      2    VAL   HG13     10       0.06      1.008
+    35   opls_135      2    VAL    CG2     11      -0.18     12.011
+    36   opls_140      2    VAL   HG21     11       0.06      1.008
+    37   opls_140      2    VAL   HG22     11       0.06      1.008
+    38   opls_140      2    VAL   HG23     11       0.06      1.008
+    39   opls_235      2    VAL      C     12        0.5     12.011
+    40   opls_236      2    VAL      O     12       -0.5    15.9994   ; qtot 2
+; residue   3 PHE rtp PHE  q  0.0
+    41   opls_238      3    PHE      N     13       -0.5    14.0067
+    42   opls_241      3    PHE      H     13        0.3      1.008
+    43  opls_224B      3    PHE     CA     13       0.14     12.011
+    44   opls_140      3    PHE     HA     13       0.06      1.008
+    45   opls_149      3    PHE     CB     14     -0.005     12.011
+    46   opls_140      3    PHE    HB1     14       0.06      1.008
+    47   opls_140      3    PHE    HB2     14       0.06      1.008
+    48   opls_145      3    PHE     CG     14     -0.115     12.011
+    49   opls_145      3    PHE    CD1     15     -0.115     12.011
+    50   opls_146      3    PHE    HD1     15      0.115      1.008
+    51   opls_145      3    PHE    CD2     16     -0.115     12.011
+    52   opls_146      3    PHE    HD2     16      0.115      1.008
+    53   opls_145      3    PHE    CE1     17     -0.115     12.011
+    54   opls_146      3    PHE    HE1     17      0.115      1.008
+    55   opls_145      3    PHE    CE2     18     -0.115     12.011
+    56   opls_146      3    PHE    HE2     18      0.115      1.008
+    57   opls_145      3    PHE     CZ     19     -0.115     12.011
+    58   opls_146      3    PHE     HZ     19      0.115      1.008
+    59   opls_235      3    PHE      C     20        0.5     12.011
+    60   opls_236      3    PHE      O     20       -0.5    15.9994   ; qtot 2
+; residue   4 GLY rtp GLY  q  0.0
+    61   opls_238      4    GLY      N     21       -0.5    14.0067
+    62   opls_241      4    GLY      H     21        0.3      1.008
+    63  opls_223B      4    GLY     CA     21       0.08     12.011
+    64   opls_140      4    GLY    HA1     21       0.06      1.008
+    65   opls_140      4    GLY    HA2     21       0.06      1.008
+    66   opls_235      4    GLY      C     22        0.5     12.011
+    67   opls_236      4    GLY      O     22       -0.5    15.9994   ; qtot 2
+; residue   5 ARG rtp ARG  q +1.0
+    68   opls_238      5    ARG      N     23       -0.5    14.0067
+    69   opls_241      5    ARG      H     23        0.3      1.008
+    70  opls_224B      5    ARG     CA     23       0.14     12.011
+    71   opls_140      5    ARG     HA     23       0.06      1.008
+    72   opls_136      5    ARG     CB     24      -0.12     12.011
+    73   opls_140      5    ARG    HB1     24       0.06      1.008
+    74   opls_140      5    ARG    HB2     24       0.06      1.008
+    75   opls_308      5    ARG     CG     25      -0.05     12.011
+    76   opls_140      5    ARG    HG1     25       0.06      1.008
+    77   opls_140      5    ARG    HG2     25       0.06      1.008
+    78   opls_307      5    ARG     CD     26       0.19     12.011
+    79   opls_140      5    ARG    HD1     26       0.06      1.008
+    80   opls_140      5    ARG    HD2     26       0.06      1.008
+    81   opls_303      5    ARG     NE     27       -0.7    14.0067
+    82   opls_304      5    ARG     HE     27       0.44      1.008
+    83   opls_302      5    ARG     CZ     27       0.64     12.011
+    84   opls_300      5    ARG    NH1     28       -0.8    14.0067
+    85   opls_301      5    ARG   HH11     28       0.46      1.008
+    86   opls_301      5    ARG   HH12     28       0.46      1.008
+    87   opls_300      5    ARG    NH2     29       -0.8    14.0067
+    88   opls_301      5    ARG   HH21     29       0.46      1.008
+    89   opls_301      5    ARG   HH22     29       0.46      1.008
+    90   opls_235      5    ARG      C     30        0.5     12.011
+    91   opls_236      5    ARG      O     30       -0.5    15.9994   ; qtot 3
+; residue   6 CYS rtp CYS2 q  0.0
+    92   opls_238      6    CYS      N     31       -0.5    14.0067
+    93   opls_241      6    CYS      H     31        0.3      1.008
+    94  opls_224B      6    CYS     CA     31       0.14     12.011
+    95   opls_140      6    CYS     HA     31       0.06      1.008
+    96   opls_214      6    CYS     CB     32     0.0975     12.011
+    97   opls_140      6    CYS    HB1     32       0.06      1.008
+    98   opls_140      6    CYS    HB2     32       0.06      1.008
+    99   opls_203      6    CYS     SG     32    -0.2175      32.06
+   100   opls_235      6    CYS      C     33        0.5     12.011
+   101   opls_236      6    CYS      O     33       -0.5    15.9994   ; qtot 3
+; residue   7 GLU rtp GLU  q -1.0
+   102   opls_238      7    GLU      N     34       -0.5    14.0067
+   103   opls_241      7    GLU      H     34        0.3      1.008
+   104  opls_224B      7    GLU     CA     34       0.14     12.011
+   105   opls_140      7    GLU     HA     34       0.06      1.008
+   106   opls_136      7    GLU     CB     35      -0.12     12.011
+   107   opls_140      7    GLU    HB1     35       0.06      1.008
+   108   opls_140      7    GLU    HB2     35       0.06      1.008
+   109   opls_274      7    GLU     CG     36      -0.22     12.011
+   110   opls_140      7    GLU    HG1     36       0.06      1.008
+   111   opls_140      7    GLU    HG2     36       0.06      1.008
+   112   opls_271      7    GLU     CD     37        0.7     12.011
+   113   opls_272      7    GLU    OE1     37       -0.8    15.9994
+   114   opls_272      7    GLU    OE2     37       -0.8    15.9994
+   115   opls_235      7    GLU      C     38        0.5     12.011
+   116   opls_236      7    GLU      O     38       -0.5    15.9994   ; qtot 2
+; residue   8 LEU rtp LEU  q  0.0
+   117   opls_238      8    LEU      N     39       -0.5    14.0067
+   118   opls_241      8    LEU      H     39        0.3      1.008
+   119  opls_224B      8    LEU     CA     39       0.14     12.011
+   120   opls_140      8    LEU     HA     39       0.06      1.008
+   121   opls_136      8    LEU     CB     40      -0.12     12.011
+   122   opls_140      8    LEU    HB1     40       0.06      1.008
+   123   opls_140      8    LEU    HB2     40       0.06      1.008
+   124   opls_137      8    LEU     CG     41      -0.06     12.011
+   125   opls_140      8    LEU     HG     41       0.06      1.008
+   126   opls_135      8    LEU    CD1     42      -0.18     12.011
+   127   opls_140      8    LEU   HD11     42       0.06      1.008
+   128   opls_140      8    LEU   HD12     42       0.06      1.008
+   129   opls_140      8    LEU   HD13     42       0.06      1.008
+   130   opls_135      8    LEU    CD2     43      -0.18     12.011
+   131   opls_140      8    LEU   HD21     43       0.06      1.008
+   132   opls_140      8    LEU   HD22     43       0.06      1.008
+   133   opls_140      8    LEU   HD23     43       0.06      1.008
+   134   opls_235      8    LEU      C     44        0.5     12.011
+   135   opls_236      8    LEU      O     44       -0.5    15.9994   ; qtot 2
+; residue   9 ALA rtp ALA  q  0.0
+   136   opls_238      9    ALA      N     45       -0.5    14.0067
+   137   opls_241      9    ALA      H     45        0.3      1.008
+   138  opls_224B      9    ALA     CA     45       0.14     12.011
+   139   opls_140      9    ALA     HA     45       0.06      1.008
+   140   opls_135      9    ALA     CB     46      -0.18     12.011
+   141   opls_140      9    ALA    HB1     46       0.06      1.008
+   142   opls_140      9    ALA    HB2     46       0.06      1.008
+   143   opls_140      9    ALA    HB3     46       0.06      1.008
+   144   opls_235      9    ALA      C     47        0.5     12.011
+   145   opls_236      9    ALA      O     47       -0.5    15.9994   ; qtot 2
+; residue  10 ALA rtp ALA  q  0.0
+   146   opls_238     10    ALA      N     48       -0.5    14.0067
+   147   opls_241     10    ALA      H     48        0.3      1.008
+   148  opls_224B     10    ALA     CA     48       0.14     12.011
+   149   opls_140     10    ALA     HA     48       0.06      1.008
+   150   opls_135     10    ALA     CB     49      -0.18     12.011
+   151   opls_140     10    ALA    HB1     49       0.06      1.008
+   152   opls_140     10    ALA    HB2     49       0.06      1.008
+   153   opls_140     10    ALA    HB3     49       0.06      1.008
+   154   opls_235     10    ALA      C     50        0.5     12.011
+   155   opls_236     10    ALA      O     50       -0.5    15.9994   ; qtot 2
+; residue  11 ALA rtp ALA  q  0.0
+   156   opls_238     11    ALA      N     51       -0.5    14.0067
+   157   opls_241     11    ALA      H     51        0.3      1.008
+   158  opls_224B     11    ALA     CA     51       0.14     12.011
+   159   opls_140     11    ALA     HA     51       0.06      1.008
+   160   opls_135     11    ALA     CB     52      -0.18     12.011
+   161   opls_140     11    ALA    HB1     52       0.06      1.008
+   162   opls_140     11    ALA    HB2     52       0.06      1.008
+   163   opls_140     11    ALA    HB3     52       0.06      1.008
+   164   opls_235     11    ALA      C     53        0.5     12.011
+   165   opls_236     11    ALA      O     53       -0.5    15.9994   ; qtot 2
+; residue  12 MET rtp MET  q  0.0
+   166   opls_238     12    MET      N     54       -0.5    14.0067
+   167   opls_241     12    MET      H     54        0.3      1.008
+   168  opls_224B     12    MET     CA     54       0.14     12.011
+   169   opls_140     12    MET     HA     54       0.06      1.008
+   170   opls_136     12    MET     CB     55      -0.12     12.011
+   171   opls_140     12    MET    HB1     55       0.06      1.008
+   172   opls_140     12    MET    HB2     55       0.06      1.008
+   173   opls_210     12    MET     CG     56      0.048     12.011
+   174   opls_140     12    MET    HG1     56       0.06      1.008
+   175   opls_140     12    MET    HG2     56       0.06      1.008
+   176   opls_202     12    MET     SD     57     -0.335      32.06
+   177   opls_209     12    MET     CE     58     -0.013     12.011
+   178   opls_140     12    MET    HE1     58       0.06      1.008
+   179   opls_140     12    MET    HE2     58       0.06      1.008
+   180   opls_140     12    MET    HE3     58       0.06      1.008
+   181   opls_235     12    MET      C     59        0.5     12.011
+   182   opls_236     12    MET      O     59       -0.5    15.9994   ; qtot 2
+; residue  13 LYS rtp LYSH q +1.0
+   183   opls_238     13    LYS      N     60       -0.5    14.0067
+   184   opls_241     13    LYS      H     60        0.3      1.008
+   185  opls_224B     13    LYS     CA     60       0.14     12.011
+   186   opls_140     13    LYS     HA     60       0.06      1.008
+   187   opls_136     13    LYS     CB     61      -0.12     12.011
+   188   opls_140     13    LYS    HB1     61       0.06      1.008
+   189   opls_140     13    LYS    HB2     61       0.06      1.008
+   190   opls_136     13    LYS     CG     62      -0.12     12.011
+   191   opls_140     13    LYS    HG1     62       0.06      1.008
+   192   opls_140     13    LYS    HG2     62       0.06      1.008
+   193   opls_136     13    LYS     CD     63      -0.12     12.011
+   194   opls_140     13    LYS    HD1     63       0.06      1.008
+   195   opls_140     13    LYS    HD2     63       0.06      1.008
+   196   opls_292     13    LYS     CE     64       0.19     12.011
+   197   opls_140     13    LYS    HE1     64       0.06      1.008
+   198   opls_140     13    LYS    HE2     64       0.06      1.008
+   199   opls_287     13    LYS     NZ     65       -0.3    14.0067
+   200   opls_290     13    LYS    HZ1     65       0.33      1.008
+   201   opls_290     13    LYS    HZ2     65       0.33      1.008
+   202   opls_290     13    LYS    HZ3     65       0.33      1.008
+   203   opls_235     13    LYS      C     66        0.5     12.011
+   204   opls_236     13    LYS      O     66       -0.5    15.9994   ; qtot 3
+; residue  14 ARG rtp ARG  q +1.0
+   205   opls_238     14    ARG      N     67       -0.5    14.0067
+   206   opls_241     14    ARG      H     67        0.3      1.008
+   207  opls_224B     14    ARG     CA     67       0.14     12.011
+   208   opls_140     14    ARG     HA     67       0.06      1.008
+   209   opls_136     14    ARG     CB     68      -0.12     12.011
+   210   opls_140     14    ARG    HB1     68       0.06      1.008
+   211   opls_140     14    ARG    HB2     68       0.06      1.008
+   212   opls_308     14    ARG     CG     69      -0.05     12.011
+   213   opls_140     14    ARG    HG1     69       0.06      1.008
+   214   opls_140     14    ARG    HG2     69       0.06      1.008
+   215   opls_307     14    ARG     CD     70       0.19     12.011
+   216   opls_140     14    ARG    HD1     70       0.06      1.008
+   217   opls_140     14    ARG    HD2     70       0.06      1.008
+   218   opls_303     14    ARG     NE     71       -0.7    14.0067
+   219   opls_304     14    ARG     HE     71       0.44      1.008
+   220   opls_302     14    ARG     CZ     71       0.64     12.011
+   221   opls_300     14    ARG    NH1     72       -0.8    14.0067
+   222   opls_301     14    ARG   HH11     72       0.46      1.008
+   223   opls_301     14    ARG   HH12     72       0.46      1.008
+   224   opls_300     14    ARG    NH2     73       -0.8    14.0067
+   225   opls_301     14    ARG   HH21     73       0.46      1.008
+   226   opls_301     14    ARG   HH22     73       0.46      1.008
+   227   opls_235     14    ARG      C     74        0.5     12.011
+   228   opls_236     14    ARG      O     74       -0.5    15.9994   ; qtot 4
+; residue  15 HIS rtp HISE q  0.0
+   229   opls_238     15    HIS      N     75       -0.5    14.0067
+   230   opls_241     15    HIS      H     75        0.3      1.008
+   231  opls_224B     15    HIS     CA     75       0.14     12.011
+   232   opls_140     15    HIS     HA     75       0.06      1.008
+   233   opls_505     15    HIS     CB     76     -0.005     12.011
+   234   opls_140     15    HIS    HB1     76       0.06      1.008
+   235   opls_140     15    HIS    HB2     76       0.06      1.008
+   236   opls_507     15    HIS     CG     77     -0.015     12.011
+   237   opls_511     15    HIS    ND1     77      -0.49    14.0067
+   238   opls_508     15    HIS    CD2     78      0.015     12.011
+   239   opls_146     15    HIS    HD2     78      0.115      1.008
+   240   opls_506     15    HIS    CE1     79      0.295     12.011
+   241   opls_146     15    HIS    HE1     79      0.115      1.008
+   242   opls_503     15    HIS    NE2     80      -0.57    14.0067
+   243   opls_504     15    HIS    HE2     80       0.42      1.008
+   244   opls_235     15    HIS      C     81        0.5     12.011
+   245   opls_236     15    HIS      O     81       -0.5    15.9994   ; qtot 4
+; residue  16 GLY rtp GLY  q  0.0
+   246   opls_238     16    GLY      N     82       -0.5    14.0067
+   247   opls_241     16    GLY      H     82        0.3      1.008
+   248  opls_223B     16    GLY     CA     82       0.08     12.011
+   249   opls_140     16    GLY    HA1     82       0.06      1.008
+   250   opls_140     16    GLY    HA2     82       0.06      1.008
+   251   opls_235     16    GLY      C     83        0.5     12.011
+   252   opls_236     16    GLY      O     83       -0.5    15.9994   ; qtot 4
+; residue  17 LEU rtp LEU  q  0.0
+   253   opls_238     17    LEU      N     84       -0.5    14.0067
+   254   opls_241     17    LEU      H     84        0.3      1.008
+   255  opls_224B     17    LEU     CA     84       0.14     12.011
+   256   opls_140     17    LEU     HA     84       0.06      1.008
+   257   opls_136     17    LEU     CB     85      -0.12     12.011
+   258   opls_140     17    LEU    HB1     85       0.06      1.008
+   259   opls_140     17    LEU    HB2     85       0.06      1.008
+   260   opls_137     17    LEU     CG     86      -0.06     12.011
+   261   opls_140     17    LEU     HG     86       0.06      1.008
+   262   opls_135     17    LEU    CD1     87      -0.18     12.011
+   263   opls_140     17    LEU   HD11     87       0.06      1.008
+   264   opls_140     17    LEU   HD12     87       0.06      1.008
+   265   opls_140     17    LEU   HD13     87       0.06      1.008
+   266   opls_135     17    LEU    CD2     88      -0.18     12.011
+   267   opls_140     17    LEU   HD21     88       0.06      1.008
+   268   opls_140     17    LEU   HD22     88       0.06      1.008
+   269   opls_140     17    LEU   HD23     88       0.06      1.008
+   270   opls_235     17    LEU      C     89        0.5     12.011
+   271   opls_236     17    LEU      O     89       -0.5    15.9994   ; qtot 4
+; residue  18 ASP rtp ASP  q -1.0
+   272   opls_238     18    ASP      N     90       -0.5    14.0067
+   273   opls_241     18    ASP      H     90        0.3      1.008
+   274  opls_224B     18    ASP     CA     90       0.14     12.011
+   275   opls_140     18    ASP     HA     90       0.06      1.008
+   276   opls_274     18    ASP     CB     91      -0.22     12.011
+   277   opls_140     18    ASP    HB1     91       0.06      1.008
+   278   opls_140     18    ASP    HB2     91       0.06      1.008
+   279   opls_271     18    ASP     CG     92        0.7     12.011
+   280   opls_272     18    ASP    OD1     92       -0.8    15.9994
+   281   opls_272     18    ASP    OD2     92       -0.8    15.9994
+   282   opls_235     18    ASP      C     93        0.5     12.011
+   283   opls_236     18    ASP      O     93       -0.5    15.9994   ; qtot 3
+; residue  19 ASN rtp ASN  q  0.0
+   284   opls_238     19    ASN      N     94       -0.5    14.0067
+   285   opls_241     19    ASN      H     94        0.3      1.008
+   286  opls_224B     19    ASN     CA     95       0.14     12.011
+   287   opls_140     19    ASN     HA     95       0.06      1.008
+   288   opls_136     19    ASN     CB     96      -0.12     12.011
+   289   opls_140     19    ASN    HB1     96       0.06      1.008
+   290   opls_140     19    ASN    HB2     96       0.06      1.008
+   291   opls_235     19    ASN     CG     97        0.5     12.011
+   292   opls_236     19    ASN    OD1     97       -0.5    15.9994
+   293   opls_237     19    ASN    ND2     98      -0.76    14.0067
+   294   opls_240     19    ASN   HD21     98       0.38      1.008
+   295   opls_240     19    ASN   HD22     98       0.38      1.008
+   296   opls_235     19    ASN      C     99        0.5     12.011
+   297   opls_236     19    ASN      O     99       -0.5    15.9994   ; qtot 3
+; residue  20 TYR rtp TYR  q  0.0
+   298   opls_238     20    TYR      N    100       -0.5    14.0067
+   299   opls_241     20    TYR      H    100        0.3      1.008
+   300  opls_224B     20    TYR     CA    100       0.14     12.011
+   301   opls_140     20    TYR     HA    100       0.06      1.008
+   302   opls_149     20    TYR     CB    101     -0.005     12.011
+   303   opls_140     20    TYR    HB1    101       0.06      1.008
+   304   opls_140     20    TYR    HB2    101       0.06      1.008
+   305   opls_145     20    TYR     CG    101     -0.115     12.011
+   306   opls_145     20    TYR    CD1    102     -0.115     12.011
+   307   opls_146     20    TYR    HD1    102      0.115      1.008
+   308   opls_145     20    TYR    CD2    103     -0.115     12.011
+   309   opls_146     20    TYR    HD2    103      0.115      1.008
+   310   opls_145     20    TYR    CE1    104     -0.115     12.011
+   311   opls_146     20    TYR    HE1    104      0.115      1.008
+   312   opls_145     20    TYR    CE2    105     -0.115     12.011
+   313   opls_146     20    TYR    HE2    105      0.115      1.008
+   314   opls_166     20    TYR     CZ    106       0.15     12.011
+   315   opls_167     20    TYR     OH    106     -0.585    15.9994
+   316   opls_168     20    TYR     HH    106      0.435      1.008
+   317   opls_235     20    TYR      C    107        0.5     12.011
+   318   opls_236     20    TYR      O    107       -0.5    15.9994   ; qtot 3
+; residue  21 ARG rtp ARG  q +1.0
+   319   opls_238     21    ARG      N    108       -0.5    14.0067
+   320   opls_241     21    ARG      H    108        0.3      1.008
+   321  opls_224B     21    ARG     CA    108       0.14     12.011
+   322   opls_140     21    ARG     HA    108       0.06      1.008
+   323   opls_136     21    ARG     CB    109      -0.12     12.011
+   324   opls_140     21    ARG    HB1    109       0.06      1.008
+   325   opls_140     21    ARG    HB2    109       0.06      1.008
+   326   opls_308     21    ARG     CG    110      -0.05     12.011
+   327   opls_140     21    ARG    HG1    110       0.06      1.008
+   328   opls_140     21    ARG    HG2    110       0.06      1.008
+   329   opls_307     21    ARG     CD    111       0.19     12.011
+   330   opls_140     21    ARG    HD1    111       0.06      1.008
+   331   opls_140     21    ARG    HD2    111       0.06      1.008
+   332   opls_303     21    ARG     NE    112       -0.7    14.0067
+   333   opls_304     21    ARG     HE    112       0.44      1.008
+   334   opls_302     21    ARG     CZ    112       0.64     12.011
+   335   opls_300     21    ARG    NH1    113       -0.8    14.0067
+   336   opls_301     21    ARG   HH11    113       0.46      1.008
+   337   opls_301     21    ARG   HH12    113       0.46      1.008
+   338   opls_300     21    ARG    NH2    114       -0.8    14.0067
+   339   opls_301     21    ARG   HH21    114       0.46      1.008
+   340   opls_301     21    ARG   HH22    114       0.46      1.008
+   341   opls_235     21    ARG      C    115        0.5     12.011
+   342   opls_236     21    ARG      O    115       -0.5    15.9994   ; qtot 4
+; residue  22 GLY rtp GLY  q  0.0
+   343   opls_238     22    GLY      N    116       -0.5    14.0067
+   344   opls_241     22    GLY      H    116        0.3      1.008
+   345  opls_223B     22    GLY     CA    116       0.08     12.011
+   346   opls_140     22    GLY    HA1    116       0.06      1.008
+   347   opls_140     22    GLY    HA2    116       0.06      1.008
+   348   opls_235     22    GLY      C    117        0.5     12.011
+   349   opls_236     22    GLY      O    117       -0.5    15.9994   ; qtot 4
+; residue  23 TYR rtp TYR  q  0.0
+   350   opls_238     23    TYR      N    118       -0.5    14.0067
+   351   opls_241     23    TYR      H    118        0.3      1.008
+   352  opls_224B     23    TYR     CA    118       0.14     12.011
+   353   opls_140     23    TYR     HA    118       0.06      1.008
+   354   opls_149     23    TYR     CB    119     -0.005     12.011
+   355   opls_140     23    TYR    HB1    119       0.06      1.008
+   356   opls_140     23    TYR    HB2    119       0.06      1.008
+   357   opls_145     23    TYR     CG    119     -0.115     12.011
+   358   opls_145     23    TYR    CD1    120     -0.115     12.011
+   359   opls_146     23    TYR    HD1    120      0.115      1.008
+   360   opls_145     23    TYR    CD2    121     -0.115     12.011
+   361   opls_146     23    TYR    HD2    121      0.115      1.008
+   362   opls_145     23    TYR    CE1    122     -0.115     12.011
+   363   opls_146     23    TYR    HE1    122      0.115      1.008
+   364   opls_145     23    TYR    CE2    123     -0.115     12.011
+   365   opls_146     23    TYR    HE2    123      0.115      1.008
+   366   opls_166     23    TYR     CZ    124       0.15     12.011
+   367   opls_167     23    TYR     OH    124     -0.585    15.9994
+   368   opls_168     23    TYR     HH    124      0.435      1.008
+   369   opls_235     23    TYR      C    125        0.5     12.011
+   370   opls_236     23    TYR      O    125       -0.5    15.9994   ; qtot 4
+; residue  24 SER rtp SER  q  0.0
+   371   opls_238     24    SER      N    126       -0.5    14.0067
+   372   opls_241     24    SER      H    126        0.3      1.008
+   373  opls_224B     24    SER     CA    126       0.14     12.011
+   374   opls_140     24    SER     HA    126       0.06      1.008
+   375   opls_157     24    SER     CB    127      0.145     12.011
+   376   opls_140     24    SER    HB1    127       0.06      1.008
+   377   opls_140     24    SER    HB2    127       0.06      1.008
+   378   opls_154     24    SER     OG    128     -0.683    15.9994
+   379   opls_155     24    SER     HG    128      0.418      1.008
+   380   opls_235     24    SER      C    129        0.5     12.011
+   381   opls_236     24    SER      O    129       -0.5    15.9994   ; qtot 4
+; residue  25 LEU rtp LEU  q  0.0
+   382   opls_238     25    LEU      N    130       -0.5    14.0067
+   383   opls_241     25    LEU      H    130        0.3      1.008
+   384  opls_224B     25    LEU     CA    130       0.14     12.011
+   385   opls_140     25    LEU     HA    130       0.06      1.008
+   386   opls_136     25    LEU     CB    131      -0.12     12.011
+   387   opls_140     25    LEU    HB1    131       0.06      1.008
+   388   opls_140     25    LEU    HB2    131       0.06      1.008
+   389   opls_137     25    LEU     CG    132      -0.06     12.011
+   390   opls_140     25    LEU     HG    132       0.06      1.008
+   391   opls_135     25    LEU    CD1    133      -0.18     12.011
+   392   opls_140     25    LEU   HD11    133       0.06      1.008
+   393   opls_140     25    LEU   HD12    133       0.06      1.008
+   394   opls_140     25    LEU   HD13    133       0.06      1.008
+   395   opls_135     25    LEU    CD2    134      -0.18     12.011
+   396   opls_140     25    LEU   HD21    134       0.06      1.008
+   397   opls_140     25    LEU   HD22    134       0.06      1.008
+   398   opls_140     25    LEU   HD23    134       0.06      1.008
+   399   opls_235     25    LEU      C    135        0.5     12.011
+   400   opls_236     25    LEU      O    135       -0.5    15.9994   ; qtot 4
+; residue  26 GLY rtp GLY  q  0.0
+   401   opls_238     26    GLY      N    136       -0.5    14.0067
+   402   opls_241     26    GLY      H    136        0.3      1.008
+   403  opls_223B     26    GLY     CA    136       0.08     12.011
+   404   opls_140     26    GLY    HA1    136       0.06      1.008
+   405   opls_140     26    GLY    HA2    136       0.06      1.008
+   406   opls_235     26    GLY      C    137        0.5     12.011
+   407   opls_236     26    GLY      O    137       -0.5    15.9994   ; qtot 4
+; residue  27 ASN rtp ASN  q  0.0
+   408   opls_238     27    ASN      N    138       -0.5    14.0067
+   409   opls_241     27    ASN      H    138        0.3      1.008
+   410  opls_224B     27    ASN     CA    139       0.14     12.011
+   411   opls_140     27    ASN     HA    139       0.06      1.008
+   412   opls_136     27    ASN     CB    140      -0.12     12.011
+   413   opls_140     27    ASN    HB1    140       0.06      1.008
+   414   opls_140     27    ASN    HB2    140       0.06      1.008
+   415   opls_235     27    ASN     CG    141        0.5     12.011
+   416   opls_236     27    ASN    OD1    141       -0.5    15.9994
+   417   opls_237     27    ASN    ND2    142      -0.76    14.0067
+   418   opls_240     27    ASN   HD21    142       0.38      1.008
+   419   opls_240     27    ASN   HD22    142       0.38      1.008
+   420   opls_235     27    ASN      C    143        0.5     12.011
+   421   opls_236     27    ASN      O    143       -0.5    15.9994   ; qtot 4
+; residue  28 TRP rtp TRP  q  0.0
+   422   opls_238     28    TRP      N    144       -0.5    14.0067
+   423   opls_241     28    TRP      H    144        0.3      1.008
+   424  opls_224B     28    TRP     CA    144       0.14     12.011
+   425   opls_140     28    TRP     HA    144       0.06      1.008
+   426   opls_136     28    TRP     CB    145      -0.12     12.011
+   427   opls_140     28    TRP    HB1    145       0.06      1.008
+   428   opls_140     28    TRP    HB2    145       0.06      1.008
+   429   opls_500     28    TRP     CG    146      0.075     12.011
+   430   opls_514     28    TRP    CD1    147     -0.115     12.011
+   431   opls_146     28    TRP    HD1    147      0.115      1.008
+   432   opls_501     28    TRP    CD2    148     -0.055     12.011
+   433   opls_503     28    TRP    NE1    149      -0.57    14.0067
+   434   opls_504     28    TRP    HE1    149       0.42      1.008
+   435   opls_502     28    TRP    CE2    149       0.13     12.011
+   436   opls_145     28    TRP    CE3    150     -0.115     12.011
+   437   opls_146     28    TRP    HE3    150      0.115      1.008
+   438   opls_145     28    TRP    CZ2    151     -0.115     12.011
+   439   opls_146     28    TRP    HZ2    151      0.115      1.008
+   440   opls_145     28    TRP    CZ3    152     -0.115     12.011
+   441   opls_146     28    TRP    HZ3    152      0.115      1.008
+   442   opls_145     28    TRP    CH2    153     -0.115     12.011
+   443   opls_146     28    TRP    HH2    153      0.115      1.008
+   444   opls_235     28    TRP      C    154        0.5     12.011
+   445   opls_236     28    TRP      O    154       -0.5    15.9994   ; qtot 4
+; residue  29 VAL rtp VAL  q  0.0
+   446   opls_238     29    VAL      N    155       -0.5    14.0067
+   447   opls_241     29    VAL      H    155        0.3      1.008
+   448  opls_224B     29    VAL     CA    155       0.14     12.011
+   449   opls_140     29    VAL     HA    155       0.06      1.008
+   450   opls_137     29    VAL     CB    156      -0.06     12.011
+   451   opls_140     29    VAL     HB    156       0.06      1.008
+   452   opls_135     29    VAL    CG1    157      -0.18     12.011
+   453   opls_140     29    VAL   HG11    157       0.06      1.008
+   454   opls_140     29    VAL   HG12    157       0.06      1.008
+   455   opls_140     29    VAL   HG13    157       0.06      1.008
+   456   opls_135     29    VAL    CG2    158      -0.18     12.011
+   457   opls_140     29    VAL   HG21    158       0.06      1.008
+   458   opls_140     29    VAL   HG22    158       0.06      1.008
+   459   opls_140     29    VAL   HG23    158       0.06      1.008
+   460   opls_235     29    VAL      C    159        0.5     12.011
+   461   opls_236     29    VAL      O    159       -0.5    15.9994   ; qtot 4
+; residue  30 CYS rtp CYS2 q  0.0
+   462   opls_238     30    CYS      N    160       -0.5    14.0067
+   463   opls_241     30    CYS      H    160        0.3      1.008
+   464  opls_224B     30    CYS     CA    160       0.14     12.011
+   465   opls_140     30    CYS     HA    160       0.06      1.008
+   466   opls_214     30    CYS     CB    161     0.0975     12.011
+   467   opls_140     30    CYS    HB1    161       0.06      1.008
+   468   opls_140     30    CYS    HB2    161       0.06      1.008
+   469   opls_203     30    CYS     SG    161    -0.2175      32.06
+   470   opls_235     30    CYS      C    162        0.5     12.011
+   471   opls_236     30    CYS      O    162       -0.5    15.9994   ; qtot 4
+; residue  31 ALA rtp ALA  q  0.0
+   472   opls_238     31    ALA      N    163       -0.5    14.0067
+   473   opls_241     31    ALA      H    163        0.3      1.008
+   474  opls_224B     31    ALA     CA    163       0.14     12.011
+   475   opls_140     31    ALA     HA    163       0.06      1.008
+   476   opls_135     31    ALA     CB    164      -0.18     12.011
+   477   opls_140     31    ALA    HB1    164       0.06      1.008
+   478   opls_140     31    ALA    HB2    164       0.06      1.008
+   479   opls_140     31    ALA    HB3    164       0.06      1.008
+   480   opls_235     31    ALA      C    165        0.5     12.011
+   481   opls_236     31    ALA      O    165       -0.5    15.9994   ; qtot 4
+; residue  32 ALA rtp ALA  q  0.0
+   482   opls_238     32    ALA      N    166       -0.5    14.0067
+   483   opls_241     32    ALA      H    166        0.3      1.008
+   484  opls_224B     32    ALA     CA    166       0.14     12.011
+   485   opls_140     32    ALA     HA    166       0.06      1.008
+   486   opls_135     32    ALA     CB    167      -0.18     12.011
+   487   opls_140     32    ALA    HB1    167       0.06      1.008
+   488   opls_140     32    ALA    HB2    167       0.06      1.008
+   489   opls_140     32    ALA    HB3    167       0.06      1.008
+   490   opls_235     32    ALA      C    168        0.5     12.011
+   491   opls_236     32    ALA      O    168       -0.5    15.9994   ; qtot 4
+; residue  33 LYS rtp LYSH q +1.0
+   492   opls_238     33    LYS      N    169       -0.5    14.0067
+   493   opls_241     33    LYS      H    169        0.3      1.008
+   494  opls_224B     33    LYS     CA    169       0.14     12.011
+   495   opls_140     33    LYS     HA    169       0.06      1.008
+   496   opls_136     33    LYS     CB    170      -0.12     12.011
+   497   opls_140     33    LYS    HB1    170       0.06      1.008
+   498   opls_140     33    LYS    HB2    170       0.06      1.008
+   499   opls_136     33    LYS     CG    171      -0.12     12.011
+   500   opls_140     33    LYS    HG1    171       0.06      1.008
+   501   opls_140     33    LYS    HG2    171       0.06      1.008
+   502   opls_136     33    LYS     CD    172      -0.12     12.011
+   503   opls_140     33    LYS    HD1    172       0.06      1.008
+   504   opls_140     33    LYS    HD2    172       0.06      1.008
+   505   opls_292     33    LYS     CE    173       0.19     12.011
+   506   opls_140     33    LYS    HE1    173       0.06      1.008
+   507   opls_140     33    LYS    HE2    173       0.06      1.008
+   508   opls_287     33    LYS     NZ    174       -0.3    14.0067
+   509   opls_290     33    LYS    HZ1    174       0.33      1.008
+   510   opls_290     33    LYS    HZ2    174       0.33      1.008
+   511   opls_290     33    LYS    HZ3    174       0.33      1.008
+   512   opls_235     33    LYS      C    175        0.5     12.011
+   513   opls_236     33    LYS      O    175       -0.5    15.9994   ; qtot 5
+; residue  34 PHE rtp PHE  q  0.0
+   514   opls_238     34    PHE      N    176       -0.5    14.0067
+   515   opls_241     34    PHE      H    176        0.3      1.008
+   516  opls_224B     34    PHE     CA    176       0.14     12.011
+   517   opls_140     34    PHE     HA    176       0.06      1.008
+   518   opls_149     34    PHE     CB    177     -0.005     12.011
+   519   opls_140     34    PHE    HB1    177       0.06      1.008
+   520   opls_140     34    PHE    HB2    177       0.06      1.008
+   521   opls_145     34    PHE     CG    177     -0.115     12.011
+   522   opls_145     34    PHE    CD1    178     -0.115     12.011
+   523   opls_146     34    PHE    HD1    178      0.115      1.008
+   524   opls_145     34    PHE    CD2    179     -0.115     12.011
+   525   opls_146     34    PHE    HD2    179      0.115      1.008
+   526   opls_145     34    PHE    CE1    180     -0.115     12.011
+   527   opls_146     34    PHE    HE1    180      0.115      1.008
+   528   opls_145     34    PHE    CE2    181     -0.115     12.011
+   529   opls_146     34    PHE    HE2    181      0.115      1.008
+   530   opls_145     34    PHE     CZ    182     -0.115     12.011
+   531   opls_146     34    PHE     HZ    182      0.115      1.008
+   532   opls_235     34    PHE      C    183        0.5     12.011
+   533   opls_236     34    PHE      O    183       -0.5    15.9994   ; qtot 5
+; residue  35 GLU rtp GLU  q -1.0
+   534   opls_238     35    GLU      N    184       -0.5    14.0067
+   535   opls_241     35    GLU      H    184        0.3      1.008
+   536  opls_224B     35    GLU     CA    184       0.14     12.011
+   537   opls_140     35    GLU     HA    184       0.06      1.008
+   538   opls_136     35    GLU     CB    185      -0.12     12.011
+   539   opls_140     35    GLU    HB1    185       0.06      1.008
+   540   opls_140     35    GLU    HB2    185       0.06      1.008
+   541   opls_274     35    GLU     CG    186      -0.22     12.011
+   542   opls_140     35    GLU    HG1    186       0.06      1.008
+   543   opls_140     35    GLU    HG2    186       0.06      1.008
+   544   opls_271     35    GLU     CD    187        0.7     12.011
+   545   opls_272     35    GLU    OE1    187       -0.8    15.9994
+   546   opls_272     35    GLU    OE2    187       -0.8    15.9994
+   547   opls_235     35    GLU      C    188        0.5     12.011
+   548   opls_236     35    GLU      O    188       -0.5    15.9994   ; qtot 4
+; residue  36 SER rtp SER  q  0.0
+   549   opls_238     36    SER      N    189       -0.5    14.0067
+   550   opls_241     36    SER      H    189        0.3      1.008
+   551  opls_224B     36    SER     CA    189       0.14     12.011
+   552   opls_140     36    SER     HA    189       0.06      1.008
+   553   opls_157     36    SER     CB    190      0.145     12.011
+   554   opls_140     36    SER    HB1    190       0.06      1.008
+   555   opls_140     36    SER    HB2    190       0.06      1.008
+   556   opls_154     36    SER     OG    191     -0.683    15.9994
+   557   opls_155     36    SER     HG    191      0.418      1.008
+   558   opls_235     36    SER      C    192        0.5     12.011
+   559   opls_236     36    SER      O    192       -0.5    15.9994   ; qtot 4
+; residue  37 ASN rtp ASN  q  0.0
+   560   opls_238     37    ASN      N    193       -0.5    14.0067
+   561   opls_241     37    ASN      H    193        0.3      1.008
+   562  opls_224B     37    ASN     CA    194       0.14     12.011
+   563   opls_140     37    ASN     HA    194       0.06      1.008
+   564   opls_136     37    ASN     CB    195      -0.12     12.011
+   565   opls_140     37    ASN    HB1    195       0.06      1.008
+   566   opls_140     37    ASN    HB2    195       0.06      1.008
+   567   opls_235     37    ASN     CG    196        0.5     12.011
+   568   opls_236     37    ASN    OD1    196       -0.5    15.9994
+   569   opls_237     37    ASN    ND2    197      -0.76    14.0067
+   570   opls_240     37    ASN   HD21    197       0.38      1.008
+   571   opls_240     37    ASN   HD22    197       0.38      1.008
+   572   opls_235     37    ASN      C    198        0.5     12.011
+   573   opls_236     37    ASN      O    198       -0.5    15.9994   ; qtot 4
+; residue  38 PHE rtp PHE  q  0.0
+   574   opls_238     38    PHE      N    199       -0.5    14.0067
+   575   opls_241     38    PHE      H    199        0.3      1.008
+   576  opls_224B     38    PHE     CA    199       0.14     12.011
+   577   opls_140     38    PHE     HA    199       0.06      1.008
+   578   opls_149     38    PHE     CB    200     -0.005     12.011
+   579   opls_140     38    PHE    HB1    200       0.06      1.008
+   580   opls_140     38    PHE    HB2    200       0.06      1.008
+   581   opls_145     38    PHE     CG    200     -0.115     12.011
+   582   opls_145     38    PHE    CD1    201     -0.115     12.011
+   583   opls_146     38    PHE    HD1    201      0.115      1.008
+   584   opls_145     38    PHE    CD2    202     -0.115     12.011
+   585   opls_146     38    PHE    HD2    202      0.115      1.008
+   586   opls_145     38    PHE    CE1    203     -0.115     12.011
+   587   opls_146     38    PHE    HE1    203      0.115      1.008
+   588   opls_145     38    PHE    CE2    204     -0.115     12.011
+   589   opls_146     38    PHE    HE2    204      0.115      1.008
+   590   opls_145     38    PHE     CZ    205     -0.115     12.011
+   591   opls_146     38    PHE     HZ    205      0.115      1.008
+   592   opls_235     38    PHE      C    206        0.5     12.011
+   593   opls_236     38    PHE      O    206       -0.5    15.9994   ; qtot 4
+; residue  39 ASN rtp ASN  q  0.0
+   594   opls_238     39    ASN      N    207       -0.5    14.0067
+   595   opls_241     39    ASN      H    207        0.3      1.008
+   596  opls_224B     39    ASN     CA    208       0.14     12.011
+   597   opls_140     39    ASN     HA    208       0.06      1.008
+   598   opls_136     39    ASN     CB    209      -0.12     12.011
+   599   opls_140     39    ASN    HB1    209       0.06      1.008
+   600   opls_140     39    ASN    HB2    209       0.06      1.008
+   601   opls_235     39    ASN     CG    210        0.5     12.011
+   602   opls_236     39    ASN    OD1    210       -0.5    15.9994
+   603   opls_237     39    ASN    ND2    211      -0.76    14.0067
+   604   opls_240     39    ASN   HD21    211       0.38      1.008
+   605   opls_240     39    ASN   HD22    211       0.38      1.008
+   606   opls_235     39    ASN      C    212        0.5     12.011
+   607   opls_236     39    ASN      O    212       -0.5    15.9994   ; qtot 4
+; residue  40 THR rtp THR  q  0.0
+   608   opls_238     40    THR      N    213       -0.5    14.0067
+   609   opls_241     40    THR      H    213        0.3      1.008
+   610  opls_224B     40    THR     CA    213       0.14     12.011
+   611   opls_140     40    THR     HA    213       0.06      1.008
+   612   opls_158     40    THR     CB    214      0.205     12.011
+   613   opls_140     40    THR     HB    214       0.06      1.008
+   614   opls_154     40    THR    OG1    214     -0.683    15.9994
+   615   opls_155     40    THR    HG1    214      0.418      1.008
+   616   opls_135     40    THR    CG2    215      -0.18     12.011
+   617   opls_140     40    THR   HG21    215       0.06      1.008
+   618   opls_140     40    THR   HG22    215       0.06      1.008
+   619   opls_140     40    THR   HG23    215       0.06      1.008
+   620   opls_235     40    THR      C    216        0.5     12.011
+   621   opls_236     40    THR      O    216       -0.5    15.9994   ; qtot 4
+; residue  41 GLN rtp GLN  q  0.0
+   622   opls_238     41    GLN      N    217       -0.5    14.0067
+   623   opls_241     41    GLN      H    217        0.3      1.008
+   624  opls_224B     41    GLN     CA    218       0.14     12.011
+   625   opls_140     41    GLN     HA    218       0.06      1.008
+   626   opls_136     41    GLN     CB    219      -0.12     12.011
+   627   opls_140     41    GLN    HB1    219       0.06      1.008
+   628   opls_140     41    GLN    HB2    219       0.06      1.008
+   629   opls_136     41    GLN     CG    220      -0.12     12.011
+   630   opls_140     41    GLN    HG1    220       0.06      1.008
+   631   opls_140     41    GLN    HG2    220       0.06      1.008
+   632   opls_235     41    GLN     CD    221        0.5     12.011
+   633   opls_236     41    GLN    OE1    221       -0.5    15.9994
+   634   opls_237     41    GLN    NE2    222      -0.76    14.0067
+   635   opls_240     41    GLN   HE21    222       0.38      1.008
+   636   opls_240     41    GLN   HE22    222       0.38      1.008
+   637   opls_235     41    GLN      C    223        0.5     12.011
+   638   opls_236     41    GLN      O    223       -0.5    15.9994   ; qtot 4
+; residue  42 ALA rtp ALA  q  0.0
+   639   opls_238     42    ALA      N    224       -0.5    14.0067
+   640   opls_241     42    ALA      H    224        0.3      1.008
+   641  opls_224B     42    ALA     CA    224       0.14     12.011
+   642   opls_140     42    ALA     HA    224       0.06      1.008
+   643   opls_135     42    ALA     CB    225      -0.18     12.011
+   644   opls_140     42    ALA    HB1    225       0.06      1.008
+   645   opls_140     42    ALA    HB2    225       0.06      1.008
+   646   opls_140     42    ALA    HB3    225       0.06      1.008
+   647   opls_235     42    ALA      C    226        0.5     12.011
+   648   opls_236     42    ALA      O    226       -0.5    15.9994   ; qtot 4
+; residue  43 THR rtp THR  q  0.0
+   649   opls_238     43    THR      N    227       -0.5    14.0067
+   650   opls_241     43    THR      H    227        0.3      1.008
+   651  opls_224B     43    THR     CA    227       0.14     12.011
+   652   opls_140     43    THR     HA    227       0.06      1.008
+   653   opls_158     43    THR     CB    228      0.205     12.011
+   654   opls_140     43    THR     HB    228       0.06      1.008
+   655   opls_154     43    THR    OG1    228     -0.683    15.9994
+   656   opls_155     43    THR    HG1    228      0.418      1.008
+   657   opls_135     43    THR    CG2    229      -0.18     12.011
+   658   opls_140     43    THR   HG21    229       0.06      1.008
+   659   opls_140     43    THR   HG22    229       0.06      1.008
+   660   opls_140     43    THR   HG23    229       0.06      1.008
+   661   opls_235     43    THR      C    230        0.5     12.011
+   662   opls_236     43    THR      O    230       -0.5    15.9994   ; qtot 4
+; residue  44 ASN rtp ASN  q  0.0
+   663   opls_238     44    ASN      N    231       -0.5    14.0067
+   664   opls_241     44    ASN      H    231        0.3      1.008
+   665  opls_224B     44    ASN     CA    232       0.14     12.011
+   666   opls_140     44    ASN     HA    232       0.06      1.008
+   667   opls_136     44    ASN     CB    233      -0.12     12.011
+   668   opls_140     44    ASN    HB1    233       0.06      1.008
+   669   opls_140     44    ASN    HB2    233       0.06      1.008
+   670   opls_235     44    ASN     CG    234        0.5     12.011
+   671   opls_236     44    ASN    OD1    234       -0.5    15.9994
+   672   opls_237     44    ASN    ND2    235      -0.76    14.0067
+   673   opls_240     44    ASN   HD21    235       0.38      1.008
+   674   opls_240     44    ASN   HD22    235       0.38      1.008
+   675   opls_235     44    ASN      C    236        0.5     12.011
+   676   opls_236     44    ASN      O    236       -0.5    15.9994   ; qtot 4
+; residue  45 ARG rtp ARG  q +1.0
+   677   opls_238     45    ARG      N    237       -0.5    14.0067
+   678   opls_241     45    ARG      H    237        0.3      1.008
+   679  opls_224B     45    ARG     CA    237       0.14     12.011
+   680   opls_140     45    ARG     HA    237       0.06      1.008
+   681   opls_136     45    ARG     CB    238      -0.12     12.011
+   682   opls_140     45    ARG    HB1    238       0.06      1.008
+   683   opls_140     45    ARG    HB2    238       0.06      1.008
+   684   opls_308     45    ARG     CG    239      -0.05     12.011
+   685   opls_140     45    ARG    HG1    239       0.06      1.008
+   686   opls_140     45    ARG    HG2    239       0.06      1.008
+   687   opls_307     45    ARG     CD    240       0.19     12.011
+   688   opls_140     45    ARG    HD1    240       0.06      1.008
+   689   opls_140     45    ARG    HD2    240       0.06      1.008
+   690   opls_303     45    ARG     NE    241       -0.7    14.0067
+   691   opls_304     45    ARG     HE    241       0.44      1.008
+   692   opls_302     45    ARG     CZ    241       0.64     12.011
+   693   opls_300     45    ARG    NH1    242       -0.8    14.0067
+   694   opls_301     45    ARG   HH11    242       0.46      1.008
+   695   opls_301     45    ARG   HH12    242       0.46      1.008
+   696   opls_300     45    ARG    NH2    243       -0.8    14.0067
+   697   opls_301     45    ARG   HH21    243       0.46      1.008
+   698   opls_301     45    ARG   HH22    243       0.46      1.008
+   699   opls_235     45    ARG      C    244        0.5     12.011
+   700   opls_236     45    ARG      O    244       -0.5    15.9994   ; qtot 5
+; residue  46 ASN rtp ASN  q  0.0
+   701   opls_238     46    ASN      N    245       -0.5    14.0067
+   702   opls_241     46    ASN      H    245        0.3      1.008
+   703  opls_224B     46    ASN     CA    246       0.14     12.011
+   704   opls_140     46    ASN     HA    246       0.06      1.008
+   705   opls_136     46    ASN     CB    247      -0.12     12.011
+   706   opls_140     46    ASN    HB1    247       0.06      1.008
+   707   opls_140     46    ASN    HB2    247       0.06      1.008
+   708   opls_235     46    ASN     CG    248        0.5     12.011
+   709   opls_236     46    ASN    OD1    248       -0.5    15.9994
+   710   opls_237     46    ASN    ND2    249      -0.76    14.0067
+   711   opls_240     46    ASN   HD21    249       0.38      1.008
+   712   opls_240     46    ASN   HD22    249       0.38      1.008
+   713   opls_235     46    ASN      C    250        0.5     12.011
+   714   opls_236     46    ASN      O    250       -0.5    15.9994   ; qtot 5
+; residue  47 THR rtp THR  q  0.0
+   715   opls_238     47    THR      N    251       -0.5    14.0067
+   716   opls_241     47    THR      H    251        0.3      1.008
+   717  opls_224B     47    THR     CA    251       0.14     12.011
+   718   opls_140     47    THR     HA    251       0.06      1.008
+   719   opls_158     47    THR     CB    252      0.205     12.011
+   720   opls_140     47    THR     HB    252       0.06      1.008
+   721   opls_154     47    THR    OG1    252     -0.683    15.9994
+   722   opls_155     47    THR    HG1    252      0.418      1.008
+   723   opls_135     47    THR    CG2    253      -0.18     12.011
+   724   opls_140     47    THR   HG21    253       0.06      1.008
+   725   opls_140     47    THR   HG22    253       0.06      1.008
+   726   opls_140     47    THR   HG23    253       0.06      1.008
+   727   opls_235     47    THR      C    254        0.5     12.011
+   728   opls_236     47    THR      O    254       -0.5    15.9994   ; qtot 5
+; residue  48 ASP rtp ASP  q -1.0
+   729   opls_238     48    ASP      N    255       -0.5    14.0067
+   730   opls_241     48    ASP      H    255        0.3      1.008
+   731  opls_224B     48    ASP     CA    255       0.14     12.011
+   732   opls_140     48    ASP     HA    255       0.06      1.008
+   733   opls_274     48    ASP     CB    256      -0.22     12.011
+   734   opls_140     48    ASP    HB1    256       0.06      1.008
+   735   opls_140     48    ASP    HB2    256       0.06      1.008
+   736   opls_271     48    ASP     CG    257        0.7     12.011
+   737   opls_272     48    ASP    OD1    257       -0.8    15.9994
+   738   opls_272     48    ASP    OD2    257       -0.8    15.9994
+   739   opls_235     48    ASP      C    258        0.5     12.011
+   740   opls_236     48    ASP      O    258       -0.5    15.9994   ; qtot 4
+; residue  49 GLY rtp GLY  q  0.0
+   741   opls_238     49    GLY      N    259       -0.5    14.0067
+   742   opls_241     49    GLY      H    259        0.3      1.008
+   743  opls_223B     49    GLY     CA    259       0.08     12.011
+   744   opls_140     49    GLY    HA1    259       0.06      1.008
+   745   opls_140     49    GLY    HA2    259       0.06      1.008
+   746   opls_235     49    GLY      C    260        0.5     12.011
+   747   opls_236     49    GLY      O    260       -0.5    15.9994   ; qtot 4
+; residue  50 SER rtp SER  q  0.0
+   748   opls_238     50    SER      N    261       -0.5    14.0067
+   749   opls_241     50    SER      H    261        0.3      1.008
+   750  opls_224B     50    SER     CA    261       0.14     12.011
+   751   opls_140     50    SER     HA    261       0.06      1.008
+   752   opls_157     50    SER     CB    262      0.145     12.011
+   753   opls_140     50    SER    HB1    262       0.06      1.008
+   754   opls_140     50    SER    HB2    262       0.06      1.008
+   755   opls_154     50    SER     OG    263     -0.683    15.9994
+   756   opls_155     50    SER     HG    263      0.418      1.008
+   757   opls_235     50    SER      C    264        0.5     12.011
+   758   opls_236     50    SER      O    264       -0.5    15.9994   ; qtot 4
+; residue  51 THR rtp THR  q  0.0
+   759   opls_238     51    THR      N    265       -0.5    14.0067
+   760   opls_241     51    THR      H    265        0.3      1.008
+   761  opls_224B     51    THR     CA    265       0.14     12.011
+   762   opls_140     51    THR     HA    265       0.06      1.008
+   763   opls_158     51    THR     CB    266      0.205     12.011
+   764   opls_140     51    THR     HB    266       0.06      1.008
+   765   opls_154     51    THR    OG1    266     -0.683    15.9994
+   766   opls_155     51    THR    HG1    266      0.418      1.008
+   767   opls_135     51    THR    CG2    267      -0.18     12.011
+   768   opls_140     51    THR   HG21    267       0.06      1.008
+   769   opls_140     51    THR   HG22    267       0.06      1.008
+   770   opls_140     51    THR   HG23    267       0.06      1.008
+   771   opls_235     51    THR      C    268        0.5     12.011
+   772   opls_236     51    THR      O    268       -0.5    15.9994   ; qtot 4
+; residue  52 ASP rtp ASP  q -1.0
+   773   opls_238     52    ASP      N    269       -0.5    14.0067
+   774   opls_241     52    ASP      H    269        0.3      1.008
+   775  opls_224B     52    ASP     CA    269       0.14     12.011
+   776   opls_140     52    ASP     HA    269       0.06      1.008
+   777   opls_274     52    ASP     CB    270      -0.22     12.011
+   778   opls_140     52    ASP    HB1    270       0.06      1.008
+   779   opls_140     52    ASP    HB2    270       0.06      1.008
+   780   opls_271     52    ASP     CG    271        0.7     12.011
+   781   opls_272     52    ASP    OD1    271       -0.8    15.9994
+   782   opls_272     52    ASP    OD2    271       -0.8    15.9994
+   783   opls_235     52    ASP      C    272        0.5     12.011
+   784   opls_236     52    ASP      O    272       -0.5    15.9994   ; qtot 3
+; residue  53 TYR rtp TYR  q  0.0
+   785   opls_238     53    TYR      N    273       -0.5    14.0067
+   786   opls_241     53    TYR      H    273        0.3      1.008
+   787  opls_224B     53    TYR     CA    273       0.14     12.011
+   788   opls_140     53    TYR     HA    273       0.06      1.008
+   789   opls_149     53    TYR     CB    274     -0.005     12.011
+   790   opls_140     53    TYR    HB1    274       0.06      1.008
+   791   opls_140     53    TYR    HB2    274       0.06      1.008
+   792   opls_145     53    TYR     CG    274     -0.115     12.011
+   793   opls_145     53    TYR    CD1    275     -0.115     12.011
+   794   opls_146     53    TYR    HD1    275      0.115      1.008
+   795   opls_145     53    TYR    CD2    276     -0.115     12.011
+   796   opls_146     53    TYR    HD2    276      0.115      1.008
+   797   opls_145     53    TYR    CE1    277     -0.115     12.011
+   798   opls_146     53    TYR    HE1    277      0.115      1.008
+   799   opls_145     53    TYR    CE2    278     -0.115     12.011
+   800   opls_146     53    TYR    HE2    278      0.115      1.008
+   801   opls_166     53    TYR     CZ    279       0.15     12.011
+   802   opls_167     53    TYR     OH    279     -0.585    15.9994
+   803   opls_168     53    TYR     HH    279      0.435      1.008
+   804   opls_235     53    TYR      C    280        0.5     12.011
+   805   opls_236     53    TYR      O    280       -0.5    15.9994   ; qtot 3
+; residue  54 GLY rtp GLY  q  0.0
+   806   opls_238     54    GLY      N    281       -0.5    14.0067
+   807   opls_241     54    GLY      H    281        0.3      1.008
+   808  opls_223B     54    GLY     CA    281       0.08     12.011
+   809   opls_140     54    GLY    HA1    281       0.06      1.008
+   810   opls_140     54    GLY    HA2    281       0.06      1.008
+   811   opls_235     54    GLY      C    282        0.5     12.011
+   812   opls_236     54    GLY      O    282       -0.5    15.9994   ; qtot 3
+; residue  55 ILE rtp ILE  q  0.0
+   813   opls_238     55    ILE      N    283       -0.5    14.0067
+   814   opls_241     55    ILE      H    283        0.3      1.008
+   815  opls_224B     55    ILE     CA    283       0.14     12.011
+   816   opls_140     55    ILE     HA    283       0.06      1.008
+   817   opls_137     55    ILE     CB    284      -0.06     12.011
+   818   opls_140     55    ILE     HB    284       0.06      1.008
+   819   opls_136     55    ILE    CG1    285      -0.12     12.011
+   820   opls_140     55    ILE   HG11    285       0.06      1.008
+   821   opls_140     55    ILE   HG12    285       0.06      1.008
+   822   opls_135     55    ILE    CG2    286      -0.18     12.011
+   823   opls_140     55    ILE   HG21    286       0.06      1.008
+   824   opls_140     55    ILE   HG22    286       0.06      1.008
+   825   opls_140     55    ILE   HG23    286       0.06      1.008
+   826   opls_135     55    ILE     CD    287      -0.18     12.011
+   827   opls_140     55    ILE    HD1    287       0.06      1.008
+   828   opls_140     55    ILE    HD2    287       0.06      1.008
+   829   opls_140     55    ILE    HD3    287       0.06      1.008
+   830   opls_235     55    ILE      C    288        0.5     12.011
+   831   opls_236     55    ILE      O    288       -0.5    15.9994   ; qtot 3
+; residue  56 LEU rtp LEU  q  0.0
+   832   opls_238     56    LEU      N    289       -0.5    14.0067
+   833   opls_241     56    LEU      H    289        0.3      1.008
+   834  opls_224B     56    LEU     CA    289       0.14     12.011
+   835   opls_140     56    LEU     HA    289       0.06      1.008
+   836   opls_136     56    LEU     CB    290      -0.12     12.011
+   837   opls_140     56    LEU    HB1    290       0.06      1.008
+   838   opls_140     56    LEU    HB2    290       0.06      1.008
+   839   opls_137     56    LEU     CG    291      -0.06     12.011
+   840   opls_140     56    LEU     HG    291       0.06      1.008
+   841   opls_135     56    LEU    CD1    292      -0.18     12.011
+   842   opls_140     56    LEU   HD11    292       0.06      1.008
+   843   opls_140     56    LEU   HD12    292       0.06      1.008
+   844   opls_140     56    LEU   HD13    292       0.06      1.008
+   845   opls_135     56    LEU    CD2    293      -0.18     12.011
+   846   opls_140     56    LEU   HD21    293       0.06      1.008
+   847   opls_140     56    LEU   HD22    293       0.06      1.008
+   848   opls_140     56    LEU   HD23    293       0.06      1.008
+   849   opls_235     56    LEU      C    294        0.5     12.011
+   850   opls_236     56    LEU      O    294       -0.5    15.9994   ; qtot 3
+; residue  57 GLN rtp GLN  q  0.0
+   851   opls_238     57    GLN      N    295       -0.5    14.0067
+   852   opls_241     57    GLN      H    295        0.3      1.008
+   853  opls_224B     57    GLN     CA    296       0.14     12.011
+   854   opls_140     57    GLN     HA    296       0.06      1.008
+   855   opls_136     57    GLN     CB    297      -0.12     12.011
+   856   opls_140     57    GLN    HB1    297       0.06      1.008
+   857   opls_140     57    GLN    HB2    297       0.06      1.008
+   858   opls_136     57    GLN     CG    298      -0.12     12.011
+   859   opls_140     57    GLN    HG1    298       0.06      1.008
+   860   opls_140     57    GLN    HG2    298       0.06      1.008
+   861   opls_235     57    GLN     CD    299        0.5     12.011
+   862   opls_236     57    GLN    OE1    299       -0.5    15.9994
+   863   opls_237     57    GLN    NE2    300      -0.76    14.0067
+   864   opls_240     57    GLN   HE21    300       0.38      1.008
+   865   opls_240     57    GLN   HE22    300       0.38      1.008
+   866   opls_235     57    GLN      C    301        0.5     12.011
+   867   opls_236     57    GLN      O    301       -0.5    15.9994   ; qtot 3
+; residue  58 ILE rtp ILE  q  0.0
+   868   opls_238     58    ILE      N    302       -0.5    14.0067
+   869   opls_241     58    ILE      H    302        0.3      1.008
+   870  opls_224B     58    ILE     CA    302       0.14     12.011
+   871   opls_140     58    ILE     HA    302       0.06      1.008
+   872   opls_137     58    ILE     CB    303      -0.06     12.011
+   873   opls_140     58    ILE     HB    303       0.06      1.008
+   874   opls_136     58    ILE    CG1    304      -0.12     12.011
+   875   opls_140     58    ILE   HG11    304       0.06      1.008
+   876   opls_140     58    ILE   HG12    304       0.06      1.008
+   877   opls_135     58    ILE    CG2    305      -0.18     12.011
+   878   opls_140     58    ILE   HG21    305       0.06      1.008
+   879   opls_140     58    ILE   HG22    305       0.06      1.008
+   880   opls_140     58    ILE   HG23    305       0.06      1.008
+   881   opls_135     58    ILE     CD    306      -0.18     12.011
+   882   opls_140     58    ILE    HD1    306       0.06      1.008
+   883   opls_140     58    ILE    HD2    306       0.06      1.008
+   884   opls_140     58    ILE    HD3    306       0.06      1.008
+   885   opls_235     58    ILE      C    307        0.5     12.011
+   886   opls_236     58    ILE      O    307       -0.5    15.9994   ; qtot 3
+; residue  59 ASN rtp ASN  q  0.0
+   887   opls_238     59    ASN      N    308       -0.5    14.0067
+   888   opls_241     59    ASN      H    308        0.3      1.008
+   889  opls_224B     59    ASN     CA    309       0.14     12.011
+   890   opls_140     59    ASN     HA    309       0.06      1.008
+   891   opls_136     59    ASN     CB    310      -0.12     12.011
+   892   opls_140     59    ASN    HB1    310       0.06      1.008
+   893   opls_140     59    ASN    HB2    310       0.06      1.008
+   894   opls_235     59    ASN     CG    311        0.5     12.011
+   895   opls_236     59    ASN    OD1    311       -0.5    15.9994
+   896   opls_237     59    ASN    ND2    312      -0.76    14.0067
+   897   opls_240     59    ASN   HD21    312       0.38      1.008
+   898   opls_240     59    ASN   HD22    312       0.38      1.008
+   899   opls_235     59    ASN      C    313        0.5     12.011
+   900   opls_236     59    ASN      O    313       -0.5    15.9994   ; qtot 3
+; residue  60 SER rtp SER  q  0.0
+   901   opls_238     60    SER      N    314       -0.5    14.0067
+   902   opls_241     60    SER      H    314        0.3      1.008
+   903  opls_224B     60    SER     CA    314       0.14     12.011
+   904   opls_140     60    SER     HA    314       0.06      1.008
+   905   opls_157     60    SER     CB    315      0.145     12.011
+   906   opls_140     60    SER    HB1    315       0.06      1.008
+   907   opls_140     60    SER    HB2    315       0.06      1.008
+   908   opls_154     60    SER     OG    316     -0.683    15.9994
+   909   opls_155     60    SER     HG    316      0.418      1.008
+   910   opls_235     60    SER      C    317        0.5     12.011
+   911   opls_236     60    SER      O    317       -0.5    15.9994   ; qtot 3
+; residue  61 ARG rtp ARG  q +1.0
+   912   opls_238     61    ARG      N    318       -0.5    14.0067
+   913   opls_241     61    ARG      H    318        0.3      1.008
+   914  opls_224B     61    ARG     CA    318       0.14     12.011
+   915   opls_140     61    ARG     HA    318       0.06      1.008
+   916   opls_136     61    ARG     CB    319      -0.12     12.011
+   917   opls_140     61    ARG    HB1    319       0.06      1.008
+   918   opls_140     61    ARG    HB2    319       0.06      1.008
+   919   opls_308     61    ARG     CG    320      -0.05     12.011
+   920   opls_140     61    ARG    HG1    320       0.06      1.008
+   921   opls_140     61    ARG    HG2    320       0.06      1.008
+   922   opls_307     61    ARG     CD    321       0.19     12.011
+   923   opls_140     61    ARG    HD1    321       0.06      1.008
+   924   opls_140     61    ARG    HD2    321       0.06      1.008
+   925   opls_303     61    ARG     NE    322       -0.7    14.0067
+   926   opls_304     61    ARG     HE    322       0.44      1.008
+   927   opls_302     61    ARG     CZ    322       0.64     12.011
+   928   opls_300     61    ARG    NH1    323       -0.8    14.0067
+   929   opls_301     61    ARG   HH11    323       0.46      1.008
+   930   opls_301     61    ARG   HH12    323       0.46      1.008
+   931   opls_300     61    ARG    NH2    324       -0.8    14.0067
+   932   opls_301     61    ARG   HH21    324       0.46      1.008
+   933   opls_301     61    ARG   HH22    324       0.46      1.008
+   934   opls_235     61    ARG      C    325        0.5     12.011
+   935   opls_236     61    ARG      O    325       -0.5    15.9994   ; qtot 4
+; residue  62 TRP rtp TRP  q  0.0
+   936   opls_238     62    TRP      N    326       -0.5    14.0067
+   937   opls_241     62    TRP      H    326        0.3      1.008
+   938  opls_224B     62    TRP     CA    326       0.14     12.011
+   939   opls_140     62    TRP     HA    326       0.06      1.008
+   940   opls_136     62    TRP     CB    327      -0.12     12.011
+   941   opls_140     62    TRP    HB1    327       0.06      1.008
+   942   opls_140     62    TRP    HB2    327       0.06      1.008
+   943   opls_500     62    TRP     CG    328      0.075     12.011
+   944   opls_514     62    TRP    CD1    329     -0.115     12.011
+   945   opls_146     62    TRP    HD1    329      0.115      1.008
+   946   opls_501     62    TRP    CD2    330     -0.055     12.011
+   947   opls_503     62    TRP    NE1    331      -0.57    14.0067
+   948   opls_504     62    TRP    HE1    331       0.42      1.008
+   949   opls_502     62    TRP    CE2    331       0.13     12.011
+   950   opls_145     62    TRP    CE3    332     -0.115     12.011
+   951   opls_146     62    TRP    HE3    332      0.115      1.008
+   952   opls_145     62    TRP    CZ2    333     -0.115     12.011
+   953   opls_146     62    TRP    HZ2    333      0.115      1.008
+   954   opls_145     62    TRP    CZ3    334     -0.115     12.011
+   955   opls_146     62    TRP    HZ3    334      0.115      1.008
+   956   opls_145     62    TRP    CH2    335     -0.115     12.011
+   957   opls_146     62    TRP    HH2    335      0.115      1.008
+   958   opls_235     62    TRP      C    336        0.5     12.011
+   959   opls_236     62    TRP      O    336       -0.5    15.9994   ; qtot 4
+; residue  63 TRP rtp TRP  q  0.0
+   960   opls_238     63    TRP      N    337       -0.5    14.0067
+   961   opls_241     63    TRP      H    337        0.3      1.008
+   962  opls_224B     63    TRP     CA    337       0.14     12.011
+   963   opls_140     63    TRP     HA    337       0.06      1.008
+   964   opls_136     63    TRP     CB    338      -0.12     12.011
+   965   opls_140     63    TRP    HB1    338       0.06      1.008
+   966   opls_140     63    TRP    HB2    338       0.06      1.008
+   967   opls_500     63    TRP     CG    339      0.075     12.011
+   968   opls_514     63    TRP    CD1    340     -0.115     12.011
+   969   opls_146     63    TRP    HD1    340      0.115      1.008
+   970   opls_501     63    TRP    CD2    341     -0.055     12.011
+   971   opls_503     63    TRP    NE1    342      -0.57    14.0067
+   972   opls_504     63    TRP    HE1    342       0.42      1.008
+   973   opls_502     63    TRP    CE2    342       0.13     12.011
+   974   opls_145     63    TRP    CE3    343     -0.115     12.011
+   975   opls_146     63    TRP    HE3    343      0.115      1.008
+   976   opls_145     63    TRP    CZ2    344     -0.115     12.011
+   977   opls_146     63    TRP    HZ2    344      0.115      1.008
+   978   opls_145     63    TRP    CZ3    345     -0.115     12.011
+   979   opls_146     63    TRP    HZ3    345      0.115      1.008
+   980   opls_145     63    TRP    CH2    346     -0.115     12.011
+   981   opls_146     63    TRP    HH2    346      0.115      1.008
+   982   opls_235     63    TRP      C    347        0.5     12.011
+   983   opls_236     63    TRP      O    347       -0.5    15.9994   ; qtot 4
+; residue  64 CYS rtp CYS2 q  0.0
+   984   opls_238     64    CYS      N    348       -0.5    14.0067
+   985   opls_241     64    CYS      H    348        0.3      1.008
+   986  opls_224B     64    CYS     CA    348       0.14     12.011
+   987   opls_140     64    CYS     HA    348       0.06      1.008
+   988   opls_214     64    CYS     CB    349     0.0975     12.011
+   989   opls_140     64    CYS    HB1    349       0.06      1.008
+   990   opls_140     64    CYS    HB2    349       0.06      1.008
+   991   opls_203     64    CYS     SG    349    -0.2175      32.06
+   992   opls_235     64    CYS      C    350        0.5     12.011
+   993   opls_236     64    CYS      O    350       -0.5    15.9994   ; qtot 4
+; residue  65 ASN rtp ASN  q  0.0
+   994   opls_238     65    ASN      N    351       -0.5    14.0067
+   995   opls_241     65    ASN      H    351        0.3      1.008
+   996  opls_224B     65    ASN     CA    352       0.14     12.011
+   997   opls_140     65    ASN     HA    352       0.06      1.008
+   998   opls_136     65    ASN     CB    353      -0.12     12.011
+   999   opls_140     65    ASN    HB1    353       0.06      1.008
+  1000   opls_140     65    ASN    HB2    353       0.06      1.008
+  1001   opls_235     65    ASN     CG    354        0.5     12.011
+  1002   opls_236     65    ASN    OD1    354       -0.5    15.9994
+  1003   opls_237     65    ASN    ND2    355      -0.76    14.0067
+  1004   opls_240     65    ASN   HD21    355       0.38      1.008
+  1005   opls_240     65    ASN   HD22    355       0.38      1.008
+  1006   opls_235     65    ASN      C    356        0.5     12.011
+  1007   opls_236     65    ASN      O    356       -0.5    15.9994   ; qtot 4
+; residue  66 ASP rtp ASP  q -1.0
+  1008   opls_238     66    ASP      N    357       -0.5    14.0067
+  1009   opls_241     66    ASP      H    357        0.3      1.008
+  1010  opls_224B     66    ASP     CA    357       0.14     12.011
+  1011   opls_140     66    ASP     HA    357       0.06      1.008
+  1012   opls_274     66    ASP     CB    358      -0.22     12.011
+  1013   opls_140     66    ASP    HB1    358       0.06      1.008
+  1014   opls_140     66    ASP    HB2    358       0.06      1.008
+  1015   opls_271     66    ASP     CG    359        0.7     12.011
+  1016   opls_272     66    ASP    OD1    359       -0.8    15.9994
+  1017   opls_272     66    ASP    OD2    359       -0.8    15.9994
+  1018   opls_235     66    ASP      C    360        0.5     12.011
+  1019   opls_236     66    ASP      O    360       -0.5    15.9994   ; qtot 3
+; residue  67 GLY rtp GLY  q  0.0
+  1020   opls_238     67    GLY      N    361       -0.5    14.0067
+  1021   opls_241     67    GLY      H    361        0.3      1.008
+  1022  opls_223B     67    GLY     CA    361       0.08     12.011
+  1023   opls_140     67    GLY    HA1    361       0.06      1.008
+  1024   opls_140     67    GLY    HA2    361       0.06      1.008
+  1025   opls_235     67    GLY      C    362        0.5     12.011
+  1026   opls_236     67    GLY      O    362       -0.5    15.9994   ; qtot 3
+; residue  68 ARG rtp ARG  q +1.0
+  1027   opls_238     68    ARG      N    363       -0.5    14.0067
+  1028   opls_241     68    ARG      H    363        0.3      1.008
+  1029  opls_224B     68    ARG     CA    363       0.14     12.011
+  1030   opls_140     68    ARG     HA    363       0.06      1.008
+  1031   opls_136     68    ARG     CB    364      -0.12     12.011
+  1032   opls_140     68    ARG    HB1    364       0.06      1.008
+  1033   opls_140     68    ARG    HB2    364       0.06      1.008
+  1034   opls_308     68    ARG     CG    365      -0.05     12.011
+  1035   opls_140     68    ARG    HG1    365       0.06      1.008
+  1036   opls_140     68    ARG    HG2    365       0.06      1.008
+  1037   opls_307     68    ARG     CD    366       0.19     12.011
+  1038   opls_140     68    ARG    HD1    366       0.06      1.008
+  1039   opls_140     68    ARG    HD2    366       0.06      1.008
+  1040   opls_303     68    ARG     NE    367       -0.7    14.0067
+  1041   opls_304     68    ARG     HE    367       0.44      1.008
+  1042   opls_302     68    ARG     CZ    367       0.64     12.011
+  1043   opls_300     68    ARG    NH1    368       -0.8    14.0067
+  1044   opls_301     68    ARG   HH11    368       0.46      1.008
+  1045   opls_301     68    ARG   HH12    368       0.46      1.008
+  1046   opls_300     68    ARG    NH2    369       -0.8    14.0067
+  1047   opls_301     68    ARG   HH21    369       0.46      1.008
+  1048   opls_301     68    ARG   HH22    369       0.46      1.008
+  1049   opls_235     68    ARG      C    370        0.5     12.011
+  1050   opls_236     68    ARG      O    370       -0.5    15.9994   ; qtot 4
+; residue  69 THR rtp THR  q  0.0
+  1051   opls_238     69    THR      N    371       -0.5    14.0067
+  1052   opls_241     69    THR      H    371        0.3      1.008
+  1053  opls_224B     69    THR     CA    371       0.14     12.011
+  1054   opls_140     69    THR     HA    371       0.06      1.008
+  1055   opls_158     69    THR     CB    372      0.205     12.011
+  1056   opls_140     69    THR     HB    372       0.06      1.008
+  1057   opls_154     69    THR    OG1    372     -0.683    15.9994
+  1058   opls_155     69    THR    HG1    372      0.418      1.008
+  1059   opls_135     69    THR    CG2    373      -0.18     12.011
+  1060   opls_140     69    THR   HG21    373       0.06      1.008
+  1061   opls_140     69    THR   HG22    373       0.06      1.008
+  1062   opls_140     69    THR   HG23    373       0.06      1.008
+  1063   opls_235     69    THR      C    374        0.5     12.011
+  1064   opls_236     69    THR      O    374       -0.5    15.9994   ; qtot 4
+; residue  70 PRO rtp PRO  q  0.0
+  1065   opls_239     70    PRO      N    375      -0.14    14.0067
+  1066   opls_246     70    PRO     CA    375       0.01     12.011
+  1067   opls_140     70    PRO     HA    375       0.06      1.008
+  1068   opls_136     70    PRO     CB    376      -0.12     12.011
+  1069   opls_140     70    PRO    HB1    376       0.06      1.008
+  1070   opls_140     70    PRO    HB2    376       0.06      1.008
+  1071   opls_136     70    PRO     CG    377      -0.12     12.011
+  1072   opls_140     70    PRO    HG1    377       0.06      1.008
+  1073   opls_140     70    PRO    HG2    377       0.06      1.008
+  1074   opls_245     70    PRO     CD    378      -0.05     12.011
+  1075   opls_140     70    PRO    HD1    378       0.06      1.008
+  1076   opls_140     70    PRO    HD2    378       0.06      1.008
+  1077   opls_235     70    PRO      C    379        0.5     12.011
+  1078   opls_236     70    PRO      O    379       -0.5    15.9994   ; qtot 4
+; residue  71 GLY rtp GLY  q  0.0
+  1079   opls_238     71    GLY      N    380       -0.5    14.0067
+  1080   opls_241     71    GLY      H    380        0.3      1.008
+  1081  opls_223B     71    GLY     CA    380       0.08     12.011
+  1082   opls_140     71    GLY    HA1    380       0.06      1.008
+  1083   opls_140     71    GLY    HA2    380       0.06      1.008
+  1084   opls_235     71    GLY      C    381        0.5     12.011
+  1085   opls_236     71    GLY      O    381       -0.5    15.9994   ; qtot 4
+; residue  72 SER rtp SER  q  0.0
+  1086   opls_238     72    SER      N    382       -0.5    14.0067
+  1087   opls_241     72    SER      H    382        0.3      1.008
+  1088  opls_224B     72    SER     CA    382       0.14     12.011
+  1089   opls_140     72    SER     HA    382       0.06      1.008
+  1090   opls_157     72    SER     CB    383      0.145     12.011
+  1091   opls_140     72    SER    HB1    383       0.06      1.008
+  1092   opls_140     72    SER    HB2    383       0.06      1.008
+  1093   opls_154     72    SER     OG    384     -0.683    15.9994
+  1094   opls_155     72    SER     HG    384      0.418      1.008
+  1095   opls_235     72    SER      C    385        0.5     12.011
+  1096   opls_236     72    SER      O    385       -0.5    15.9994   ; qtot 4
+; residue  73 ARG rtp ARG  q +1.0
+  1097   opls_238     73    ARG      N    386       -0.5    14.0067
+  1098   opls_241     73    ARG      H    386        0.3      1.008
+  1099  opls_224B     73    ARG     CA    386       0.14     12.011
+  1100   opls_140     73    ARG     HA    386       0.06      1.008
+  1101   opls_136     73    ARG     CB    387      -0.12     12.011
+  1102   opls_140     73    ARG    HB1    387       0.06      1.008
+  1103   opls_140     73    ARG    HB2    387       0.06      1.008
+  1104   opls_308     73    ARG     CG    388      -0.05     12.011
+  1105   opls_140     73    ARG    HG1    388       0.06      1.008
+  1106   opls_140     73    ARG    HG2    388       0.06      1.008
+  1107   opls_307     73    ARG     CD    389       0.19     12.011
+  1108   opls_140     73    ARG    HD1    389       0.06      1.008
+  1109   opls_140     73    ARG    HD2    389       0.06      1.008
+  1110   opls_303     73    ARG     NE    390       -0.7    14.0067
+  1111   opls_304     73    ARG     HE    390       0.44      1.008
+  1112   opls_302     73    ARG     CZ    390       0.64     12.011
+  1113   opls_300     73    ARG    NH1    391       -0.8    14.0067
+  1114   opls_301     73    ARG   HH11    391       0.46      1.008
+  1115   opls_301     73    ARG   HH12    391       0.46      1.008
+  1116   opls_300     73    ARG    NH2    392       -0.8    14.0067
+  1117   opls_301     73    ARG   HH21    392       0.46      1.008
+  1118   opls_301     73    ARG   HH22    392       0.46      1.008
+  1119   opls_235     73    ARG      C    393        0.5     12.011
+  1120   opls_236     73    ARG      O    393       -0.5    15.9994   ; qtot 5
+; residue  74 ASN rtp ASN  q  0.0
+  1121   opls_238     74    ASN      N    394       -0.5    14.0067
+  1122   opls_241     74    ASN      H    394        0.3      1.008
+  1123  opls_224B     74    ASN     CA    395       0.14     12.011
+  1124   opls_140     74    ASN     HA    395       0.06      1.008
+  1125   opls_136     74    ASN     CB    396      -0.12     12.011
+  1126   opls_140     74    ASN    HB1    396       0.06      1.008
+  1127   opls_140     74    ASN    HB2    396       0.06      1.008
+  1128   opls_235     74    ASN     CG    397        0.5     12.011
+  1129   opls_236     74    ASN    OD1    397       -0.5    15.9994
+  1130   opls_237     74    ASN    ND2    398      -0.76    14.0067
+  1131   opls_240     74    ASN   HD21    398       0.38      1.008
+  1132   opls_240     74    ASN   HD22    398       0.38      1.008
+  1133   opls_235     74    ASN      C    399        0.5     12.011
+  1134   opls_236     74    ASN      O    399       -0.5    15.9994   ; qtot 5
+; residue  75 LEU rtp LEU  q  0.0
+  1135   opls_238     75    LEU      N    400       -0.5    14.0067
+  1136   opls_241     75    LEU      H    400        0.3      1.008
+  1137  opls_224B     75    LEU     CA    400       0.14     12.011
+  1138   opls_140     75    LEU     HA    400       0.06      1.008
+  1139   opls_136     75    LEU     CB    401      -0.12     12.011
+  1140   opls_140     75    LEU    HB1    401       0.06      1.008
+  1141   opls_140     75    LEU    HB2    401       0.06      1.008
+  1142   opls_137     75    LEU     CG    402      -0.06     12.011
+  1143   opls_140     75    LEU     HG    402       0.06      1.008
+  1144   opls_135     75    LEU    CD1    403      -0.18     12.011
+  1145   opls_140     75    LEU   HD11    403       0.06      1.008
+  1146   opls_140     75    LEU   HD12    403       0.06      1.008
+  1147   opls_140     75    LEU   HD13    403       0.06      1.008
+  1148   opls_135     75    LEU    CD2    404      -0.18     12.011
+  1149   opls_140     75    LEU   HD21    404       0.06      1.008
+  1150   opls_140     75    LEU   HD22    404       0.06      1.008
+  1151   opls_140     75    LEU   HD23    404       0.06      1.008
+  1152   opls_235     75    LEU      C    405        0.5     12.011
+  1153   opls_236     75    LEU      O    405       -0.5    15.9994   ; qtot 5
+; residue  76 CYS rtp CYS2 q  0.0
+  1154   opls_238     76    CYS      N    406       -0.5    14.0067
+  1155   opls_241     76    CYS      H    406        0.3      1.008
+  1156  opls_224B     76    CYS     CA    406       0.14     12.011
+  1157   opls_140     76    CYS     HA    406       0.06      1.008
+  1158   opls_214     76    CYS     CB    407     0.0975     12.011
+  1159   opls_140     76    CYS    HB1    407       0.06      1.008
+  1160   opls_140     76    CYS    HB2    407       0.06      1.008
+  1161   opls_203     76    CYS     SG    407    -0.2175      32.06
+  1162   opls_235     76    CYS      C    408        0.5     12.011
+  1163   opls_236     76    CYS      O    408       -0.5    15.9994   ; qtot 5
+; residue  77 ASN rtp ASN  q  0.0
+  1164   opls_238     77    ASN      N    409       -0.5    14.0067
+  1165   opls_241     77    ASN      H    409        0.3      1.008
+  1166  opls_224B     77    ASN     CA    410       0.14     12.011
+  1167   opls_140     77    ASN     HA    410       0.06      1.008
+  1168   opls_136     77    ASN     CB    411      -0.12     12.011
+  1169   opls_140     77    ASN    HB1    411       0.06      1.008
+  1170   opls_140     77    ASN    HB2    411       0.06      1.008
+  1171   opls_235     77    ASN     CG    412        0.5     12.011
+  1172   opls_236     77    ASN    OD1    412       -0.5    15.9994
+  1173   opls_237     77    ASN    ND2    413      -0.76    14.0067
+  1174   opls_240     77    ASN   HD21    413       0.38      1.008
+  1175   opls_240     77    ASN   HD22    413       0.38      1.008
+  1176   opls_235     77    ASN      C    414        0.5     12.011
+  1177   opls_236     77    ASN      O    414       -0.5    15.9994   ; qtot 5
+; residue  78 ILE rtp ILE  q  0.0
+  1178   opls_238     78    ILE      N    415       -0.5    14.0067
+  1179   opls_241     78    ILE      H    415        0.3      1.008
+  1180  opls_224B     78    ILE     CA    415       0.14     12.011
+  1181   opls_140     78    ILE     HA    415       0.06      1.008
+  1182   opls_137     78    ILE     CB    416      -0.06     12.011
+  1183   opls_140     78    ILE     HB    416       0.06      1.008
+  1184   opls_136     78    ILE    CG1    417      -0.12     12.011
+  1185   opls_140     78    ILE   HG11    417       0.06      1.008
+  1186   opls_140     78    ILE   HG12    417       0.06      1.008
+  1187   opls_135     78    ILE    CG2    418      -0.18     12.011
+  1188   opls_140     78    ILE   HG21    418       0.06      1.008
+  1189   opls_140     78    ILE   HG22    418       0.06      1.008
+  1190   opls_140     78    ILE   HG23    418       0.06      1.008
+  1191   opls_135     78    ILE     CD    419      -0.18     12.011
+  1192   opls_140     78    ILE    HD1    419       0.06      1.008
+  1193   opls_140     78    ILE    HD2    419       0.06      1.008
+  1194   opls_140     78    ILE    HD3    419       0.06      1.008
+  1195   opls_235     78    ILE      C    420        0.5     12.011
+  1196   opls_236     78    ILE      O    420       -0.5    15.9994   ; qtot 5
+; residue  79 PRO rtp PRO  q  0.0
+  1197   opls_239     79    PRO      N    421      -0.14    14.0067
+  1198   opls_246     79    PRO     CA    421       0.01     12.011
+  1199   opls_140     79    PRO     HA    421       0.06      1.008
+  1200   opls_136     79    PRO     CB    422      -0.12     12.011
+  1201   opls_140     79    PRO    HB1    422       0.06      1.008
+  1202   opls_140     79    PRO    HB2    422       0.06      1.008
+  1203   opls_136     79    PRO     CG    423      -0.12     12.011
+  1204   opls_140     79    PRO    HG1    423       0.06      1.008
+  1205   opls_140     79    PRO    HG2    423       0.06      1.008
+  1206   opls_245     79    PRO     CD    424      -0.05     12.011
+  1207   opls_140     79    PRO    HD1    424       0.06      1.008
+  1208   opls_140     79    PRO    HD2    424       0.06      1.008
+  1209   opls_235     79    PRO      C    425        0.5     12.011
+  1210   opls_236     79    PRO      O    425       -0.5    15.9994   ; qtot 5
+; residue  80 CYS rtp CYS2 q  0.0
+  1211   opls_238     80    CYS      N    426       -0.5    14.0067
+  1212   opls_241     80    CYS      H    426        0.3      1.008
+  1213  opls_224B     80    CYS     CA    426       0.14     12.011
+  1214   opls_140     80    CYS     HA    426       0.06      1.008
+  1215   opls_214     80    CYS     CB    427     0.0975     12.011
+  1216   opls_140     80    CYS    HB1    427       0.06      1.008
+  1217   opls_140     80    CYS    HB2    427       0.06      1.008
+  1218   opls_203     80    CYS     SG    427    -0.2175      32.06
+  1219   opls_235     80    CYS      C    428        0.5     12.011
+  1220   opls_236     80    CYS      O    428       -0.5    15.9994   ; qtot 5
+; residue  81 SER rtp SER  q  0.0
+  1221   opls_238     81    SER      N    429       -0.5    14.0067
+  1222   opls_241     81    SER      H    429        0.3      1.008
+  1223  opls_224B     81    SER     CA    429       0.14     12.011
+  1224   opls_140     81    SER     HA    429       0.06      1.008
+  1225   opls_157     81    SER     CB    430      0.145     12.011
+  1226   opls_140     81    SER    HB1    430       0.06      1.008
+  1227   opls_140     81    SER    HB2    430       0.06      1.008
+  1228   opls_154     81    SER     OG    431     -0.683    15.9994
+  1229   opls_155     81    SER     HG    431      0.418      1.008
+  1230   opls_235     81    SER      C    432        0.5     12.011
+  1231   opls_236     81    SER      O    432       -0.5    15.9994   ; qtot 5
+; residue  82 ALA rtp ALA  q  0.0
+  1232   opls_238     82    ALA      N    433       -0.5    14.0067
+  1233   opls_241     82    ALA      H    433        0.3      1.008
+  1234  opls_224B     82    ALA     CA    433       0.14     12.011
+  1235   opls_140     82    ALA     HA    433       0.06      1.008
+  1236   opls_135     82    ALA     CB    434      -0.18     12.011
+  1237   opls_140     82    ALA    HB1    434       0.06      1.008
+  1238   opls_140     82    ALA    HB2    434       0.06      1.008
+  1239   opls_140     82    ALA    HB3    434       0.06      1.008
+  1240   opls_235     82    ALA      C    435        0.5     12.011
+  1241   opls_236     82    ALA      O    435       -0.5    15.9994   ; qtot 5
+; residue  83 LEU rtp LEU  q  0.0
+  1242   opls_238     83    LEU      N    436       -0.5    14.0067
+  1243   opls_241     83    LEU      H    436        0.3      1.008
+  1244  opls_224B     83    LEU     CA    436       0.14     12.011
+  1245   opls_140     83    LEU     HA    436       0.06      1.008
+  1246   opls_136     83    LEU     CB    437      -0.12     12.011
+  1247   opls_140     83    LEU    HB1    437       0.06      1.008
+  1248   opls_140     83    LEU    HB2    437       0.06      1.008
+  1249   opls_137     83    LEU     CG    438      -0.06     12.011
+  1250   opls_140     83    LEU     HG    438       0.06      1.008
+  1251   opls_135     83    LEU    CD1    439      -0.18     12.011
+  1252   opls_140     83    LEU   HD11    439       0.06      1.008
+  1253   opls_140     83    LEU   HD12    439       0.06      1.008
+  1254   opls_140     83    LEU   HD13    439       0.06      1.008
+  1255   opls_135     83    LEU    CD2    440      -0.18     12.011
+  1256   opls_140     83    LEU   HD21    440       0.06      1.008
+  1257   opls_140     83    LEU   HD22    440       0.06      1.008
+  1258   opls_140     83    LEU   HD23    440       0.06      1.008
+  1259   opls_235     83    LEU      C    441        0.5     12.011
+  1260   opls_236     83    LEU      O    441       -0.5    15.9994   ; qtot 5
+; residue  84 LEU rtp LEU  q  0.0
+  1261   opls_238     84    LEU      N    442       -0.5    14.0067
+  1262   opls_241     84    LEU      H    442        0.3      1.008
+  1263  opls_224B     84    LEU     CA    442       0.14     12.011
+  1264   opls_140     84    LEU     HA    442       0.06      1.008
+  1265   opls_136     84    LEU     CB    443      -0.12     12.011
+  1266   opls_140     84    LEU    HB1    443       0.06      1.008
+  1267   opls_140     84    LEU    HB2    443       0.06      1.008
+  1268   opls_137     84    LEU     CG    444      -0.06     12.011
+  1269   opls_140     84    LEU     HG    444       0.06      1.008
+  1270   opls_135     84    LEU    CD1    445      -0.18     12.011
+  1271   opls_140     84    LEU   HD11    445       0.06      1.008
+  1272   opls_140     84    LEU   HD12    445       0.06      1.008
+  1273   opls_140     84    LEU   HD13    445       0.06      1.008
+  1274   opls_135     84    LEU    CD2    446      -0.18     12.011
+  1275   opls_140     84    LEU   HD21    446       0.06      1.008
+  1276   opls_140     84    LEU   HD22    446       0.06      1.008
+  1277   opls_140     84    LEU   HD23    446       0.06      1.008
+  1278   opls_235     84    LEU      C    447        0.5     12.011
+  1279   opls_236     84    LEU      O    447       -0.5    15.9994   ; qtot 5
+; residue  85 SER rtp SER  q  0.0
+  1280   opls_238     85    SER      N    448       -0.5    14.0067
+  1281   opls_241     85    SER      H    448        0.3      1.008
+  1282  opls_224B     85    SER     CA    448       0.14     12.011
+  1283   opls_140     85    SER     HA    448       0.06      1.008
+  1284   opls_157     85    SER     CB    449      0.145     12.011
+  1285   opls_140     85    SER    HB1    449       0.06      1.008
+  1286   opls_140     85    SER    HB2    449       0.06      1.008
+  1287   opls_154     85    SER     OG    450     -0.683    15.9994
+  1288   opls_155     85    SER     HG    450      0.418      1.008
+  1289   opls_235     85    SER      C    451        0.5     12.011
+  1290   opls_236     85    SER      O    451       -0.5    15.9994   ; qtot 5
+; residue  86 SER rtp SER  q  0.0
+  1291   opls_238     86    SER      N    452       -0.5    14.0067
+  1292   opls_241     86    SER      H    452        0.3      1.008
+  1293  opls_224B     86    SER     CA    452       0.14     12.011
+  1294   opls_140     86    SER     HA    452       0.06      1.008
+  1295   opls_157     86    SER     CB    453      0.145     12.011
+  1296   opls_140     86    SER    HB1    453       0.06      1.008
+  1297   opls_140     86    SER    HB2    453       0.06      1.008
+  1298   opls_154     86    SER     OG    454     -0.683    15.9994
+  1299   opls_155     86    SER     HG    454      0.418      1.008
+  1300   opls_235     86    SER      C    455        0.5     12.011
+  1301   opls_236     86    SER      O    455       -0.5    15.9994   ; qtot 5
+; residue  87 ASP rtp ASP  q -1.0
+  1302   opls_238     87    ASP      N    456       -0.5    14.0067
+  1303   opls_241     87    ASP      H    456        0.3      1.008
+  1304  opls_224B     87    ASP     CA    456       0.14     12.011
+  1305   opls_140     87    ASP     HA    456       0.06      1.008
+  1306   opls_274     87    ASP     CB    457      -0.22     12.011
+  1307   opls_140     87    ASP    HB1    457       0.06      1.008
+  1308   opls_140     87    ASP    HB2    457       0.06      1.008
+  1309   opls_271     87    ASP     CG    458        0.7     12.011
+  1310   opls_272     87    ASP    OD1    458       -0.8    15.9994
+  1311   opls_272     87    ASP    OD2    458       -0.8    15.9994
+  1312   opls_235     87    ASP      C    459        0.5     12.011
+  1313   opls_236     87    ASP      O    459       -0.5    15.9994   ; qtot 4
+; residue  88 ILE rtp ILE  q  0.0
+  1314   opls_238     88    ILE      N    460       -0.5    14.0067
+  1315   opls_241     88    ILE      H    460        0.3      1.008
+  1316  opls_224B     88    ILE     CA    460       0.14     12.011
+  1317   opls_140     88    ILE     HA    460       0.06      1.008
+  1318   opls_137     88    ILE     CB    461      -0.06     12.011
+  1319   opls_140     88    ILE     HB    461       0.06      1.008
+  1320   opls_136     88    ILE    CG1    462      -0.12     12.011
+  1321   opls_140     88    ILE   HG11    462       0.06      1.008
+  1322   opls_140     88    ILE   HG12    462       0.06      1.008
+  1323   opls_135     88    ILE    CG2    463      -0.18     12.011
+  1324   opls_140     88    ILE   HG21    463       0.06      1.008
+  1325   opls_140     88    ILE   HG22    463       0.06      1.008
+  1326   opls_140     88    ILE   HG23    463       0.06      1.008
+  1327   opls_135     88    ILE     CD    464      -0.18     12.011
+  1328   opls_140     88    ILE    HD1    464       0.06      1.008
+  1329   opls_140     88    ILE    HD2    464       0.06      1.008
+  1330   opls_140     88    ILE    HD3    464       0.06      1.008
+  1331   opls_235     88    ILE      C    465        0.5     12.011
+  1332   opls_236     88    ILE      O    465       -0.5    15.9994   ; qtot 4
+; residue  89 THR rtp THR  q  0.0
+  1333   opls_238     89    THR      N    466       -0.5    14.0067
+  1334   opls_241     89    THR      H    466        0.3      1.008
+  1335  opls_224B     89    THR     CA    466       0.14     12.011
+  1336   opls_140     89    THR     HA    466       0.06      1.008
+  1337   opls_158     89    THR     CB    467      0.205     12.011
+  1338   opls_140     89    THR     HB    467       0.06      1.008
+  1339   opls_154     89    THR    OG1    467     -0.683    15.9994
+  1340   opls_155     89    THR    HG1    467      0.418      1.008
+  1341   opls_135     89    THR    CG2    468      -0.18     12.011
+  1342   opls_140     89    THR   HG21    468       0.06      1.008
+  1343   opls_140     89    THR   HG22    468       0.06      1.008
+  1344   opls_140     89    THR   HG23    468       0.06      1.008
+  1345   opls_235     89    THR      C    469        0.5     12.011
+  1346   opls_236     89    THR      O    469       -0.5    15.9994   ; qtot 4
+; residue  90 ALA rtp ALA  q  0.0
+  1347   opls_238     90    ALA      N    470       -0.5    14.0067
+  1348   opls_241     90    ALA      H    470        0.3      1.008
+  1349  opls_224B     90    ALA     CA    470       0.14     12.011
+  1350   opls_140     90    ALA     HA    470       0.06      1.008
+  1351   opls_135     90    ALA     CB    471      -0.18     12.011
+  1352   opls_140     90    ALA    HB1    471       0.06      1.008
+  1353   opls_140     90    ALA    HB2    471       0.06      1.008
+  1354   opls_140     90    ALA    HB3    471       0.06      1.008
+  1355   opls_235     90    ALA      C    472        0.5     12.011
+  1356   opls_236     90    ALA      O    472       -0.5    15.9994   ; qtot 4
+; residue  91 SER rtp SER  q  0.0
+  1357   opls_238     91    SER      N    473       -0.5    14.0067
+  1358   opls_241     91    SER      H    473        0.3      1.008
+  1359  opls_224B     91    SER     CA    473       0.14     12.011
+  1360   opls_140     91    SER     HA    473       0.06      1.008
+  1361   opls_157     91    SER     CB    474      0.145     12.011
+  1362   opls_140     91    SER    HB1    474       0.06      1.008
+  1363   opls_140     91    SER    HB2    474       0.06      1.008
+  1364   opls_154     91    SER     OG    475     -0.683    15.9994
+  1365   opls_155     91    SER     HG    475      0.418      1.008
+  1366   opls_235     91    SER      C    476        0.5     12.011
+  1367   opls_236     91    SER      O    476       -0.5    15.9994   ; qtot 4
+; residue  92 VAL rtp VAL  q  0.0
+  1368   opls_238     92    VAL      N    477       -0.5    14.0067
+  1369   opls_241     92    VAL      H    477        0.3      1.008
+  1370  opls_224B     92    VAL     CA    477       0.14     12.011
+  1371   opls_140     92    VAL     HA    477       0.06      1.008
+  1372   opls_137     92    VAL     CB    478      -0.06     12.011
+  1373   opls_140     92    VAL     HB    478       0.06      1.008
+  1374   opls_135     92    VAL    CG1    479      -0.18     12.011
+  1375   opls_140     92    VAL   HG11    479       0.06      1.008
+  1376   opls_140     92    VAL   HG12    479       0.06      1.008
+  1377   opls_140     92    VAL   HG13    479       0.06      1.008
+  1378   opls_135     92    VAL    CG2    480      -0.18     12.011
+  1379   opls_140     92    VAL   HG21    480       0.06      1.008
+  1380   opls_140     92    VAL   HG22    480       0.06      1.008
+  1381   opls_140     92    VAL   HG23    480       0.06      1.008
+  1382   opls_235     92    VAL      C    481        0.5     12.011
+  1383   opls_236     92    VAL      O    481       -0.5    15.9994   ; qtot 4
+; residue  93 ASN rtp ASN  q  0.0
+  1384   opls_238     93    ASN      N    482       -0.5    14.0067
+  1385   opls_241     93    ASN      H    482        0.3      1.008
+  1386  opls_224B     93    ASN     CA    483       0.14     12.011
+  1387   opls_140     93    ASN     HA    483       0.06      1.008
+  1388   opls_136     93    ASN     CB    484      -0.12     12.011
+  1389   opls_140     93    ASN    HB1    484       0.06      1.008
+  1390   opls_140     93    ASN    HB2    484       0.06      1.008
+  1391   opls_235     93    ASN     CG    485        0.5     12.011
+  1392   opls_236     93    ASN    OD1    485       -0.5    15.9994
+  1393   opls_237     93    ASN    ND2    486      -0.76    14.0067
+  1394   opls_240     93    ASN   HD21    486       0.38      1.008
+  1395   opls_240     93    ASN   HD22    486       0.38      1.008
+  1396   opls_235     93    ASN      C    487        0.5     12.011
+  1397   opls_236     93    ASN      O    487       -0.5    15.9994   ; qtot 4
+; residue  94 CYS rtp CYS2 q  0.0
+  1398   opls_238     94    CYS      N    488       -0.5    14.0067
+  1399   opls_241     94    CYS      H    488        0.3      1.008
+  1400  opls_224B     94    CYS     CA    488       0.14     12.011
+  1401   opls_140     94    CYS     HA    488       0.06      1.008
+  1402   opls_214     94    CYS     CB    489     0.0975     12.011
+  1403   opls_140     94    CYS    HB1    489       0.06      1.008
+  1404   opls_140     94    CYS    HB2    489       0.06      1.008
+  1405   opls_203     94    CYS     SG    489    -0.2175      32.06
+  1406   opls_235     94    CYS      C    490        0.5     12.011
+  1407   opls_236     94    CYS      O    490       -0.5    15.9994   ; qtot 4
+; residue  95 ALA rtp ALA  q  0.0
+  1408   opls_238     95    ALA      N    491       -0.5    14.0067
+  1409   opls_241     95    ALA      H    491        0.3      1.008
+  1410  opls_224B     95    ALA     CA    491       0.14     12.011
+  1411   opls_140     95    ALA     HA    491       0.06      1.008
+  1412   opls_135     95    ALA     CB    492      -0.18     12.011
+  1413   opls_140     95    ALA    HB1    492       0.06      1.008
+  1414   opls_140     95    ALA    HB2    492       0.06      1.008
+  1415   opls_140     95    ALA    HB3    492       0.06      1.008
+  1416   opls_235     95    ALA      C    493        0.5     12.011
+  1417   opls_236     95    ALA      O    493       -0.5    15.9994   ; qtot 4
+; residue  96 LYS rtp LYSH q +1.0
+  1418   opls_238     96    LYS      N    494       -0.5    14.0067
+  1419   opls_241     96    LYS      H    494        0.3      1.008
+  1420  opls_224B     96    LYS     CA    494       0.14     12.011
+  1421   opls_140     96    LYS     HA    494       0.06      1.008
+  1422   opls_136     96    LYS     CB    495      -0.12     12.011
+  1423   opls_140     96    LYS    HB1    495       0.06      1.008
+  1424   opls_140     96    LYS    HB2    495       0.06      1.008
+  1425   opls_136     96    LYS     CG    496      -0.12     12.011
+  1426   opls_140     96    LYS    HG1    496       0.06      1.008
+  1427   opls_140     96    LYS    HG2    496       0.06      1.008
+  1428   opls_136     96    LYS     CD    497      -0.12     12.011
+  1429   opls_140     96    LYS    HD1    497       0.06      1.008
+  1430   opls_140     96    LYS    HD2    497       0.06      1.008
+  1431   opls_292     96    LYS     CE    498       0.19     12.011
+  1432   opls_140     96    LYS    HE1    498       0.06      1.008
+  1433   opls_140     96    LYS    HE2    498       0.06      1.008
+  1434   opls_287     96    LYS     NZ    499       -0.3    14.0067
+  1435   opls_290     96    LYS    HZ1    499       0.33      1.008
+  1436   opls_290     96    LYS    HZ2    499       0.33      1.008
+  1437   opls_290     96    LYS    HZ3    499       0.33      1.008
+  1438   opls_235     96    LYS      C    500        0.5     12.011
+  1439   opls_236     96    LYS      O    500       -0.5    15.9994   ; qtot 5
+; residue  97 LYS rtp LYSH q +1.0
+  1440   opls_238     97    LYS      N    501       -0.5    14.0067
+  1441   opls_241     97    LYS      H    501        0.3      1.008
+  1442  opls_224B     97    LYS     CA    501       0.14     12.011
+  1443   opls_140     97    LYS     HA    501       0.06      1.008
+  1444   opls_136     97    LYS     CB    502      -0.12     12.011
+  1445   opls_140     97    LYS    HB1    502       0.06      1.008
+  1446   opls_140     97    LYS    HB2    502       0.06      1.008
+  1447   opls_136     97    LYS     CG    503      -0.12     12.011
+  1448   opls_140     97    LYS    HG1    503       0.06      1.008
+  1449   opls_140     97    LYS    HG2    503       0.06      1.008
+  1450   opls_136     97    LYS     CD    504      -0.12     12.011
+  1451   opls_140     97    LYS    HD1    504       0.06      1.008
+  1452   opls_140     97    LYS    HD2    504       0.06      1.008
+  1453   opls_292     97    LYS     CE    505       0.19     12.011
+  1454   opls_140     97    LYS    HE1    505       0.06      1.008
+  1455   opls_140     97    LYS    HE2    505       0.06      1.008
+  1456   opls_287     97    LYS     NZ    506       -0.3    14.0067
+  1457   opls_290     97    LYS    HZ1    506       0.33      1.008
+  1458   opls_290     97    LYS    HZ2    506       0.33      1.008
+  1459   opls_290     97    LYS    HZ3    506       0.33      1.008
+  1460   opls_235     97    LYS      C    507        0.5     12.011
+  1461   opls_236     97    LYS      O    507       -0.5    15.9994   ; qtot 6
+; residue  98 ILE rtp ILE  q  0.0
+  1462   opls_238     98    ILE      N    508       -0.5    14.0067
+  1463   opls_241     98    ILE      H    508        0.3      1.008
+  1464  opls_224B     98    ILE     CA    508       0.14     12.011
+  1465   opls_140     98    ILE     HA    508       0.06      1.008
+  1466   opls_137     98    ILE     CB    509      -0.06     12.011
+  1467   opls_140     98    ILE     HB    509       0.06      1.008
+  1468   opls_136     98    ILE    CG1    510      -0.12     12.011
+  1469   opls_140     98    ILE   HG11    510       0.06      1.008
+  1470   opls_140     98    ILE   HG12    510       0.06      1.008
+  1471   opls_135     98    ILE    CG2    511      -0.18     12.011
+  1472   opls_140     98    ILE   HG21    511       0.06      1.008
+  1473   opls_140     98    ILE   HG22    511       0.06      1.008
+  1474   opls_140     98    ILE   HG23    511       0.06      1.008
+  1475   opls_135     98    ILE     CD    512      -0.18     12.011
+  1476   opls_140     98    ILE    HD1    512       0.06      1.008
+  1477   opls_140     98    ILE    HD2    512       0.06      1.008
+  1478   opls_140     98    ILE    HD3    512       0.06      1.008
+  1479   opls_235     98    ILE      C    513        0.5     12.011
+  1480   opls_236     98    ILE      O    513       -0.5    15.9994   ; qtot 6
+; residue  99 VAL rtp VAL  q  0.0
+  1481   opls_238     99    VAL      N    514       -0.5    14.0067
+  1482   opls_241     99    VAL      H    514        0.3      1.008
+  1483  opls_224B     99    VAL     CA    514       0.14     12.011
+  1484   opls_140     99    VAL     HA    514       0.06      1.008
+  1485   opls_137     99    VAL     CB    515      -0.06     12.011
+  1486   opls_140     99    VAL     HB    515       0.06      1.008
+  1487   opls_135     99    VAL    CG1    516      -0.18     12.011
+  1488   opls_140     99    VAL   HG11    516       0.06      1.008
+  1489   opls_140     99    VAL   HG12    516       0.06      1.008
+  1490   opls_140     99    VAL   HG13    516       0.06      1.008
+  1491   opls_135     99    VAL    CG2    517      -0.18     12.011
+  1492   opls_140     99    VAL   HG21    517       0.06      1.008
+  1493   opls_140     99    VAL   HG22    517       0.06      1.008
+  1494   opls_140     99    VAL   HG23    517       0.06      1.008
+  1495   opls_235     99    VAL      C    518        0.5     12.011
+  1496   opls_236     99    VAL      O    518       -0.5    15.9994   ; qtot 6
+; residue 100 SER rtp SER  q  0.0
+  1497   opls_238    100    SER      N    519       -0.5    14.0067
+  1498   opls_241    100    SER      H    519        0.3      1.008
+  1499  opls_224B    100    SER     CA    519       0.14     12.011
+  1500   opls_140    100    SER     HA    519       0.06      1.008
+  1501   opls_157    100    SER     CB    520      0.145     12.011
+  1502   opls_140    100    SER    HB1    520       0.06      1.008
+  1503   opls_140    100    SER    HB2    520       0.06      1.008
+  1504   opls_154    100    SER     OG    521     -0.683    15.9994
+  1505   opls_155    100    SER     HG    521      0.418      1.008
+  1506   opls_235    100    SER      C    522        0.5     12.011
+  1507   opls_236    100    SER      O    522       -0.5    15.9994   ; qtot 6
+; residue 101 ASP rtp ASP  q -1.0
+  1508   opls_238    101    ASP      N    523       -0.5    14.0067
+  1509   opls_241    101    ASP      H    523        0.3      1.008
+  1510  opls_224B    101    ASP     CA    523       0.14     12.011
+  1511   opls_140    101    ASP     HA    523       0.06      1.008
+  1512   opls_274    101    ASP     CB    524      -0.22     12.011
+  1513   opls_140    101    ASP    HB1    524       0.06      1.008
+  1514   opls_140    101    ASP    HB2    524       0.06      1.008
+  1515   opls_271    101    ASP     CG    525        0.7     12.011
+  1516   opls_272    101    ASP    OD1    525       -0.8    15.9994
+  1517   opls_272    101    ASP    OD2    525       -0.8    15.9994
+  1518   opls_235    101    ASP      C    526        0.5     12.011
+  1519   opls_236    101    ASP      O    526       -0.5    15.9994   ; qtot 5
+; residue 102 GLY rtp GLY  q  0.0
+  1520   opls_238    102    GLY      N    527       -0.5    14.0067
+  1521   opls_241    102    GLY      H    527        0.3      1.008
+  1522  opls_223B    102    GLY     CA    527       0.08     12.011
+  1523   opls_140    102    GLY    HA1    527       0.06      1.008
+  1524   opls_140    102    GLY    HA2    527       0.06      1.008
+  1525   opls_235    102    GLY      C    528        0.5     12.011
+  1526   opls_236    102    GLY      O    528       -0.5    15.9994   ; qtot 5
+; residue 103 ASN rtp ASN  q  0.0
+  1527   opls_238    103    ASN      N    529       -0.5    14.0067
+  1528   opls_241    103    ASN      H    529        0.3      1.008
+  1529  opls_224B    103    ASN     CA    530       0.14     12.011
+  1530   opls_140    103    ASN     HA    530       0.06      1.008
+  1531   opls_136    103    ASN     CB    531      -0.12     12.011
+  1532   opls_140    103    ASN    HB1    531       0.06      1.008
+  1533   opls_140    103    ASN    HB2    531       0.06      1.008
+  1534   opls_235    103    ASN     CG    532        0.5     12.011
+  1535   opls_236    103    ASN    OD1    532       -0.5    15.9994
+  1536   opls_237    103    ASN    ND2    533      -0.76    14.0067
+  1537   opls_240    103    ASN   HD21    533       0.38      1.008
+  1538   opls_240    103    ASN   HD22    533       0.38      1.008
+  1539   opls_235    103    ASN      C    534        0.5     12.011
+  1540   opls_236    103    ASN      O    534       -0.5    15.9994   ; qtot 5
+; residue 104 GLY rtp GLY  q  0.0
+  1541   opls_238    104    GLY      N    535       -0.5    14.0067
+  1542   opls_241    104    GLY      H    535        0.3      1.008
+  1543  opls_223B    104    GLY     CA    535       0.08     12.011
+  1544   opls_140    104    GLY    HA1    535       0.06      1.008
+  1545   opls_140    104    GLY    HA2    535       0.06      1.008
+  1546   opls_235    104    GLY      C    536        0.5     12.011
+  1547   opls_236    104    GLY      O    536       -0.5    15.9994   ; qtot 5
+; residue 105 MET rtp MET  q  0.0
+  1548   opls_238    105    MET      N    537       -0.5    14.0067
+  1549   opls_241    105    MET      H    537        0.3      1.008
+  1550  opls_224B    105    MET     CA    537       0.14     12.011
+  1551   opls_140    105    MET     HA    537       0.06      1.008
+  1552   opls_136    105    MET     CB    538      -0.12     12.011
+  1553   opls_140    105    MET    HB1    538       0.06      1.008
+  1554   opls_140    105    MET    HB2    538       0.06      1.008
+  1555   opls_210    105    MET     CG    539      0.048     12.011
+  1556   opls_140    105    MET    HG1    539       0.06      1.008
+  1557   opls_140    105    MET    HG2    539       0.06      1.008
+  1558   opls_202    105    MET     SD    540     -0.335      32.06
+  1559   opls_209    105    MET     CE    541     -0.013     12.011
+  1560   opls_140    105    MET    HE1    541       0.06      1.008
+  1561   opls_140    105    MET    HE2    541       0.06      1.008
+  1562   opls_140    105    MET    HE3    541       0.06      1.008
+  1563   opls_235    105    MET      C    542        0.5     12.011
+  1564   opls_236    105    MET      O    542       -0.5    15.9994   ; qtot 5
+; residue 106 ASN rtp ASN  q  0.0
+  1565   opls_238    106    ASN      N    543       -0.5    14.0067
+  1566   opls_241    106    ASN      H    543        0.3      1.008
+  1567  opls_224B    106    ASN     CA    544       0.14     12.011
+  1568   opls_140    106    ASN     HA    544       0.06      1.008
+  1569   opls_136    106    ASN     CB    545      -0.12     12.011
+  1570   opls_140    106    ASN    HB1    545       0.06      1.008
+  1571   opls_140    106    ASN    HB2    545       0.06      1.008
+  1572   opls_235    106    ASN     CG    546        0.5     12.011
+  1573   opls_236    106    ASN    OD1    546       -0.5    15.9994
+  1574   opls_237    106    ASN    ND2    547      -0.76    14.0067
+  1575   opls_240    106    ASN   HD21    547       0.38      1.008
+  1576   opls_240    106    ASN   HD22    547       0.38      1.008
+  1577   opls_235    106    ASN      C    548        0.5     12.011
+  1578   opls_236    106    ASN      O    548       -0.5    15.9994   ; qtot 5
+; residue 107 ALA rtp ALA  q  0.0
+  1579   opls_238    107    ALA      N    549       -0.5    14.0067
+  1580   opls_241    107    ALA      H    549        0.3      1.008
+  1581  opls_224B    107    ALA     CA    549       0.14     12.011
+  1582   opls_140    107    ALA     HA    549       0.06      1.008
+  1583   opls_135    107    ALA     CB    550      -0.18     12.011
+  1584   opls_140    107    ALA    HB1    550       0.06      1.008
+  1585   opls_140    107    ALA    HB2    550       0.06      1.008
+  1586   opls_140    107    ALA    HB3    550       0.06      1.008
+  1587   opls_235    107    ALA      C    551        0.5     12.011
+  1588   opls_236    107    ALA      O    551       -0.5    15.9994   ; qtot 5
+; residue 108 TRP rtp TRP  q  0.0
+  1589   opls_238    108    TRP      N    552       -0.5    14.0067
+  1590   opls_241    108    TRP      H    552        0.3      1.008
+  1591  opls_224B    108    TRP     CA    552       0.14     12.011
+  1592   opls_140    108    TRP     HA    552       0.06      1.008
+  1593   opls_136    108    TRP     CB    553      -0.12     12.011
+  1594   opls_140    108    TRP    HB1    553       0.06      1.008
+  1595   opls_140    108    TRP    HB2    553       0.06      1.008
+  1596   opls_500    108    TRP     CG    554      0.075     12.011
+  1597   opls_514    108    TRP    CD1    555     -0.115     12.011
+  1598   opls_146    108    TRP    HD1    555      0.115      1.008
+  1599   opls_501    108    TRP    CD2    556     -0.055     12.011
+  1600   opls_503    108    TRP    NE1    557      -0.57    14.0067
+  1601   opls_504    108    TRP    HE1    557       0.42      1.008
+  1602   opls_502    108    TRP    CE2    557       0.13     12.011
+  1603   opls_145    108    TRP    CE3    558     -0.115     12.011
+  1604   opls_146    108    TRP    HE3    558      0.115      1.008
+  1605   opls_145    108    TRP    CZ2    559     -0.115     12.011
+  1606   opls_146    108    TRP    HZ2    559      0.115      1.008
+  1607   opls_145    108    TRP    CZ3    560     -0.115     12.011
+  1608   opls_146    108    TRP    HZ3    560      0.115      1.008
+  1609   opls_145    108    TRP    CH2    561     -0.115     12.011
+  1610   opls_146    108    TRP    HH2    561      0.115      1.008
+  1611   opls_235    108    TRP      C    562        0.5     12.011
+  1612   opls_236    108    TRP      O    562       -0.5    15.9994   ; qtot 5
+; residue 109 VAL rtp VAL  q  0.0
+  1613   opls_238    109    VAL      N    563       -0.5    14.0067
+  1614   opls_241    109    VAL      H    563        0.3      1.008
+  1615  opls_224B    109    VAL     CA    563       0.14     12.011
+  1616   opls_140    109    VAL     HA    563       0.06      1.008
+  1617   opls_137    109    VAL     CB    564      -0.06     12.011
+  1618   opls_140    109    VAL     HB    564       0.06      1.008
+  1619   opls_135    109    VAL    CG1    565      -0.18     12.011
+  1620   opls_140    109    VAL   HG11    565       0.06      1.008
+  1621   opls_140    109    VAL   HG12    565       0.06      1.008
+  1622   opls_140    109    VAL   HG13    565       0.06      1.008
+  1623   opls_135    109    VAL    CG2    566      -0.18     12.011
+  1624   opls_140    109    VAL   HG21    566       0.06      1.008
+  1625   opls_140    109    VAL   HG22    566       0.06      1.008
+  1626   opls_140    109    VAL   HG23    566       0.06      1.008
+  1627   opls_235    109    VAL      C    567        0.5     12.011
+  1628   opls_236    109    VAL      O    567       -0.5    15.9994   ; qtot 5
+; residue 110 ALA rtp ALA  q  0.0
+  1629   opls_238    110    ALA      N    568       -0.5    14.0067
+  1630   opls_241    110    ALA      H    568        0.3      1.008
+  1631  opls_224B    110    ALA     CA    568       0.14     12.011
+  1632   opls_140    110    ALA     HA    568       0.06      1.008
+  1633   opls_135    110    ALA     CB    569      -0.18     12.011
+  1634   opls_140    110    ALA    HB1    569       0.06      1.008
+  1635   opls_140    110    ALA    HB2    569       0.06      1.008
+  1636   opls_140    110    ALA    HB3    569       0.06      1.008
+  1637   opls_235    110    ALA      C    570        0.5     12.011
+  1638   opls_236    110    ALA      O    570       -0.5    15.9994   ; qtot 5
+; residue 111 TRP rtp TRP  q  0.0
+  1639   opls_238    111    TRP      N    571       -0.5    14.0067
+  1640   opls_241    111    TRP      H    571        0.3      1.008
+  1641  opls_224B    111    TRP     CA    571       0.14     12.011
+  1642   opls_140    111    TRP     HA    571       0.06      1.008
+  1643   opls_136    111    TRP     CB    572      -0.12     12.011
+  1644   opls_140    111    TRP    HB1    572       0.06      1.008
+  1645   opls_140    111    TRP    HB2    572       0.06      1.008
+  1646   opls_500    111    TRP     CG    573      0.075     12.011
+  1647   opls_514    111    TRP    CD1    574     -0.115     12.011
+  1648   opls_146    111    TRP    HD1    574      0.115      1.008
+  1649   opls_501    111    TRP    CD2    575     -0.055     12.011
+  1650   opls_503    111    TRP    NE1    576      -0.57    14.0067
+  1651   opls_504    111    TRP    HE1    576       0.42      1.008
+  1652   opls_502    111    TRP    CE2    576       0.13     12.011
+  1653   opls_145    111    TRP    CE3    577     -0.115     12.011
+  1654   opls_146    111    TRP    HE3    577      0.115      1.008
+  1655   opls_145    111    TRP    CZ2    578     -0.115     12.011
+  1656   opls_146    111    TRP    HZ2    578      0.115      1.008
+  1657   opls_145    111    TRP    CZ3    579     -0.115     12.011
+  1658   opls_146    111    TRP    HZ3    579      0.115      1.008
+  1659   opls_145    111    TRP    CH2    580     -0.115     12.011
+  1660   opls_146    111    TRP    HH2    580      0.115      1.008
+  1661   opls_235    111    TRP      C    581        0.5     12.011
+  1662   opls_236    111    TRP      O    581       -0.5    15.9994   ; qtot 5
+; residue 112 ARG rtp ARG  q +1.0
+  1663   opls_238    112    ARG      N    582       -0.5    14.0067
+  1664   opls_241    112    ARG      H    582        0.3      1.008
+  1665  opls_224B    112    ARG     CA    582       0.14     12.011
+  1666   opls_140    112    ARG     HA    582       0.06      1.008
+  1667   opls_136    112    ARG     CB    583      -0.12     12.011
+  1668   opls_140    112    ARG    HB1    583       0.06      1.008
+  1669   opls_140    112    ARG    HB2    583       0.06      1.008
+  1670   opls_308    112    ARG     CG    584      -0.05     12.011
+  1671   opls_140    112    ARG    HG1    584       0.06      1.008
+  1672   opls_140    112    ARG    HG2    584       0.06      1.008
+  1673   opls_307    112    ARG     CD    585       0.19     12.011
+  1674   opls_140    112    ARG    HD1    585       0.06      1.008
+  1675   opls_140    112    ARG    HD2    585       0.06      1.008
+  1676   opls_303    112    ARG     NE    586       -0.7    14.0067
+  1677   opls_304    112    ARG     HE    586       0.44      1.008
+  1678   opls_302    112    ARG     CZ    586       0.64     12.011
+  1679   opls_300    112    ARG    NH1    587       -0.8    14.0067
+  1680   opls_301    112    ARG   HH11    587       0.46      1.008
+  1681   opls_301    112    ARG   HH12    587       0.46      1.008
+  1682   opls_300    112    ARG    NH2    588       -0.8    14.0067
+  1683   opls_301    112    ARG   HH21    588       0.46      1.008
+  1684   opls_301    112    ARG   HH22    588       0.46      1.008
+  1685   opls_235    112    ARG      C    589        0.5     12.011
+  1686   opls_236    112    ARG      O    589       -0.5    15.9994   ; qtot 6
+; residue 113 ASN rtp ASN  q  0.0
+  1687   opls_238    113    ASN      N    590       -0.5    14.0067
+  1688   opls_241    113    ASN      H    590        0.3      1.008
+  1689  opls_224B    113    ASN     CA    591       0.14     12.011
+  1690   opls_140    113    ASN     HA    591       0.06      1.008
+  1691   opls_136    113    ASN     CB    592      -0.12     12.011
+  1692   opls_140    113    ASN    HB1    592       0.06      1.008
+  1693   opls_140    113    ASN    HB2    592       0.06      1.008
+  1694   opls_235    113    ASN     CG    593        0.5     12.011
+  1695   opls_236    113    ASN    OD1    593       -0.5    15.9994
+  1696   opls_237    113    ASN    ND2    594      -0.76    14.0067
+  1697   opls_240    113    ASN   HD21    594       0.38      1.008
+  1698   opls_240    113    ASN   HD22    594       0.38      1.008
+  1699   opls_235    113    ASN      C    595        0.5     12.011
+  1700   opls_236    113    ASN      O    595       -0.5    15.9994   ; qtot 6
+; residue 114 ARG rtp ARG  q +1.0
+  1701   opls_238    114    ARG      N    596       -0.5    14.0067
+  1702   opls_241    114    ARG      H    596        0.3      1.008
+  1703  opls_224B    114    ARG     CA    596       0.14     12.011
+  1704   opls_140    114    ARG     HA    596       0.06      1.008
+  1705   opls_136    114    ARG     CB    597      -0.12     12.011
+  1706   opls_140    114    ARG    HB1    597       0.06      1.008
+  1707   opls_140    114    ARG    HB2    597       0.06      1.008
+  1708   opls_308    114    ARG     CG    598      -0.05     12.011
+  1709   opls_140    114    ARG    HG1    598       0.06      1.008
+  1710   opls_140    114    ARG    HG2    598       0.06      1.008
+  1711   opls_307    114    ARG     CD    599       0.19     12.011
+  1712   opls_140    114    ARG    HD1    599       0.06      1.008
+  1713   opls_140    114    ARG    HD2    599       0.06      1.008
+  1714   opls_303    114    ARG     NE    600       -0.7    14.0067
+  1715   opls_304    114    ARG     HE    600       0.44      1.008
+  1716   opls_302    114    ARG     CZ    600       0.64     12.011
+  1717   opls_300    114    ARG    NH1    601       -0.8    14.0067
+  1718   opls_301    114    ARG   HH11    601       0.46      1.008
+  1719   opls_301    114    ARG   HH12    601       0.46      1.008
+  1720   opls_300    114    ARG    NH2    602       -0.8    14.0067
+  1721   opls_301    114    ARG   HH21    602       0.46      1.008
+  1722   opls_301    114    ARG   HH22    602       0.46      1.008
+  1723   opls_235    114    ARG      C    603        0.5     12.011
+  1724   opls_236    114    ARG      O    603       -0.5    15.9994   ; qtot 7
+; residue 115 CYS rtp CYS2 q  0.0
+  1725   opls_238    115    CYS      N    604       -0.5    14.0067
+  1726   opls_241    115    CYS      H    604        0.3      1.008
+  1727  opls_224B    115    CYS     CA    604       0.14     12.011
+  1728   opls_140    115    CYS     HA    604       0.06      1.008
+  1729   opls_214    115    CYS     CB    605     0.0975     12.011
+  1730   opls_140    115    CYS    HB1    605       0.06      1.008
+  1731   opls_140    115    CYS    HB2    605       0.06      1.008
+  1732   opls_203    115    CYS     SG    605    -0.2175      32.06
+  1733   opls_235    115    CYS      C    606        0.5     12.011
+  1734   opls_236    115    CYS      O    606       -0.5    15.9994   ; qtot 7
+; residue 116 LYS rtp LYSH q +1.0
+  1735   opls_238    116    LYS      N    607       -0.5    14.0067
+  1736   opls_241    116    LYS      H    607        0.3      1.008
+  1737  opls_224B    116    LYS     CA    607       0.14     12.011
+  1738   opls_140    116    LYS     HA    607       0.06      1.008
+  1739   opls_136    116    LYS     CB    608      -0.12     12.011
+  1740   opls_140    116    LYS    HB1    608       0.06      1.008
+  1741   opls_140    116    LYS    HB2    608       0.06      1.008
+  1742   opls_136    116    LYS     CG    609      -0.12     12.011
+  1743   opls_140    116    LYS    HG1    609       0.06      1.008
+  1744   opls_140    116    LYS    HG2    609       0.06      1.008
+  1745   opls_136    116    LYS     CD    610      -0.12     12.011
+  1746   opls_140    116    LYS    HD1    610       0.06      1.008
+  1747   opls_140    116    LYS    HD2    610       0.06      1.008
+  1748   opls_292    116    LYS     CE    611       0.19     12.011
+  1749   opls_140    116    LYS    HE1    611       0.06      1.008
+  1750   opls_140    116    LYS    HE2    611       0.06      1.008
+  1751   opls_287    116    LYS     NZ    612       -0.3    14.0067
+  1752   opls_290    116    LYS    HZ1    612       0.33      1.008
+  1753   opls_290    116    LYS    HZ2    612       0.33      1.008
+  1754   opls_290    116    LYS    HZ3    612       0.33      1.008
+  1755   opls_235    116    LYS      C    613        0.5     12.011
+  1756   opls_236    116    LYS      O    613       -0.5    15.9994   ; qtot 8
+; residue 117 GLY rtp GLY  q  0.0
+  1757   opls_238    117    GLY      N    614       -0.5    14.0067
+  1758   opls_241    117    GLY      H    614        0.3      1.008
+  1759  opls_223B    117    GLY     CA    614       0.08     12.011
+  1760   opls_140    117    GLY    HA1    614       0.06      1.008
+  1761   opls_140    117    GLY    HA2    614       0.06      1.008
+  1762   opls_235    117    GLY      C    615        0.5     12.011
+  1763   opls_236    117    GLY      O    615       -0.5    15.9994   ; qtot 8
+; residue 118 THR rtp THR  q  0.0
+  1764   opls_238    118    THR      N    616       -0.5    14.0067
+  1765   opls_241    118    THR      H    616        0.3      1.008
+  1766  opls_224B    118    THR     CA    616       0.14     12.011
+  1767   opls_140    118    THR     HA    616       0.06      1.008
+  1768   opls_158    118    THR     CB    617      0.205     12.011
+  1769   opls_140    118    THR     HB    617       0.06      1.008
+  1770   opls_154    118    THR    OG1    617     -0.683    15.9994
+  1771   opls_155    118    THR    HG1    617      0.418      1.008
+  1772   opls_135    118    THR    CG2    618      -0.18     12.011
+  1773   opls_140    118    THR   HG21    618       0.06      1.008
+  1774   opls_140    118    THR   HG22    618       0.06      1.008
+  1775   opls_140    118    THR   HG23    618       0.06      1.008
+  1776   opls_235    118    THR      C    619        0.5     12.011
+  1777   opls_236    118    THR      O    619       -0.5    15.9994   ; qtot 8
+; residue 119 ASP rtp ASP  q -1.0
+  1778   opls_238    119    ASP      N    620       -0.5    14.0067
+  1779   opls_241    119    ASP      H    620        0.3      1.008
+  1780  opls_224B    119    ASP     CA    620       0.14     12.011
+  1781   opls_140    119    ASP     HA    620       0.06      1.008
+  1782   opls_274    119    ASP     CB    621      -0.22     12.011
+  1783   opls_140    119    ASP    HB1    621       0.06      1.008
+  1784   opls_140    119    ASP    HB2    621       0.06      1.008
+  1785   opls_271    119    ASP     CG    622        0.7     12.011
+  1786   opls_272    119    ASP    OD1    622       -0.8    15.9994
+  1787   opls_272    119    ASP    OD2    622       -0.8    15.9994
+  1788   opls_235    119    ASP      C    623        0.5     12.011
+  1789   opls_236    119    ASP      O    623       -0.5    15.9994   ; qtot 7
+; residue 120 VAL rtp VAL  q  0.0
+  1790   opls_238    120    VAL      N    624       -0.5    14.0067
+  1791   opls_241    120    VAL      H    624        0.3      1.008
+  1792  opls_224B    120    VAL     CA    624       0.14     12.011
+  1793   opls_140    120    VAL     HA    624       0.06      1.008
+  1794   opls_137    120    VAL     CB    625      -0.06     12.011
+  1795   opls_140    120    VAL     HB    625       0.06      1.008
+  1796   opls_135    120    VAL    CG1    626      -0.18     12.011
+  1797   opls_140    120    VAL   HG11    626       0.06      1.008
+  1798   opls_140    120    VAL   HG12    626       0.06      1.008
+  1799   opls_140    120    VAL   HG13    626       0.06      1.008
+  1800   opls_135    120    VAL    CG2    627      -0.18     12.011
+  1801   opls_140    120    VAL   HG21    627       0.06      1.008
+  1802   opls_140    120    VAL   HG22    627       0.06      1.008
+  1803   opls_140    120    VAL   HG23    627       0.06      1.008
+  1804   opls_235    120    VAL      C    628        0.5     12.011
+  1805   opls_236    120    VAL      O    628       -0.5    15.9994   ; qtot 7
+; residue 121 GLN rtp GLN  q  0.0
+  1806   opls_238    121    GLN      N    629       -0.5    14.0067
+  1807   opls_241    121    GLN      H    629        0.3      1.008
+  1808  opls_224B    121    GLN     CA    630       0.14     12.011
+  1809   opls_140    121    GLN     HA    630       0.06      1.008
+  1810   opls_136    121    GLN     CB    631      -0.12     12.011
+  1811   opls_140    121    GLN    HB1    631       0.06      1.008
+  1812   opls_140    121    GLN    HB2    631       0.06      1.008
+  1813   opls_136    121    GLN     CG    632      -0.12     12.011
+  1814   opls_140    121    GLN    HG1    632       0.06      1.008
+  1815   opls_140    121    GLN    HG2    632       0.06      1.008
+  1816   opls_235    121    GLN     CD    633        0.5     12.011
+  1817   opls_236    121    GLN    OE1    633       -0.5    15.9994
+  1818   opls_237    121    GLN    NE2    634      -0.76    14.0067
+  1819   opls_240    121    GLN   HE21    634       0.38      1.008
+  1820   opls_240    121    GLN   HE22    634       0.38      1.008
+  1821   opls_235    121    GLN      C    635        0.5     12.011
+  1822   opls_236    121    GLN      O    635       -0.5    15.9994   ; qtot 7
+; residue 122 ALA rtp ALA  q  0.0
+  1823   opls_238    122    ALA      N    636       -0.5    14.0067
+  1824   opls_241    122    ALA      H    636        0.3      1.008
+  1825  opls_224B    122    ALA     CA    636       0.14     12.011
+  1826   opls_140    122    ALA     HA    636       0.06      1.008
+  1827   opls_135    122    ALA     CB    637      -0.18     12.011
+  1828   opls_140    122    ALA    HB1    637       0.06      1.008
+  1829   opls_140    122    ALA    HB2    637       0.06      1.008
+  1830   opls_140    122    ALA    HB3    637       0.06      1.008
+  1831   opls_235    122    ALA      C    638        0.5     12.011
+  1832   opls_236    122    ALA      O    638       -0.5    15.9994   ; qtot 7
+; residue 123 TRP rtp TRP  q  0.0
+  1833   opls_238    123    TRP      N    639       -0.5    14.0067
+  1834   opls_241    123    TRP      H    639        0.3      1.008
+  1835  opls_224B    123    TRP     CA    639       0.14     12.011
+  1836   opls_140    123    TRP     HA    639       0.06      1.008
+  1837   opls_136    123    TRP     CB    640      -0.12     12.011
+  1838   opls_140    123    TRP    HB1    640       0.06      1.008
+  1839   opls_140    123    TRP    HB2    640       0.06      1.008
+  1840   opls_500    123    TRP     CG    641      0.075     12.011
+  1841   opls_514    123    TRP    CD1    642     -0.115     12.011
+  1842   opls_146    123    TRP    HD1    642      0.115      1.008
+  1843   opls_501    123    TRP    CD2    643     -0.055     12.011
+  1844   opls_503    123    TRP    NE1    644      -0.57    14.0067
+  1845   opls_504    123    TRP    HE1    644       0.42      1.008
+  1846   opls_502    123    TRP    CE2    644       0.13     12.011
+  1847   opls_145    123    TRP    CE3    645     -0.115     12.011
+  1848   opls_146    123    TRP    HE3    645      0.115      1.008
+  1849   opls_145    123    TRP    CZ2    646     -0.115     12.011
+  1850   opls_146    123    TRP    HZ2    646      0.115      1.008
+  1851   opls_145    123    TRP    CZ3    647     -0.115     12.011
+  1852   opls_146    123    TRP    HZ3    647      0.115      1.008
+  1853   opls_145    123    TRP    CH2    648     -0.115     12.011
+  1854   opls_146    123    TRP    HH2    648      0.115      1.008
+  1855   opls_235    123    TRP      C    649        0.5     12.011
+  1856   opls_236    123    TRP      O    649       -0.5    15.9994   ; qtot 7
+; residue 124 ILE rtp ILE  q  0.0
+  1857   opls_238    124    ILE      N    650       -0.5    14.0067
+  1858   opls_241    124    ILE      H    650        0.3      1.008
+  1859  opls_224B    124    ILE     CA    650       0.14     12.011
+  1860   opls_140    124    ILE     HA    650       0.06      1.008
+  1861   opls_137    124    ILE     CB    651      -0.06     12.011
+  1862   opls_140    124    ILE     HB    651       0.06      1.008
+  1863   opls_136    124    ILE    CG1    652      -0.12     12.011
+  1864   opls_140    124    ILE   HG11    652       0.06      1.008
+  1865   opls_140    124    ILE   HG12    652       0.06      1.008
+  1866   opls_135    124    ILE    CG2    653      -0.18     12.011
+  1867   opls_140    124    ILE   HG21    653       0.06      1.008
+  1868   opls_140    124    ILE   HG22    653       0.06      1.008
+  1869   opls_140    124    ILE   HG23    653       0.06      1.008
+  1870   opls_135    124    ILE     CD    654      -0.18     12.011
+  1871   opls_140    124    ILE    HD1    654       0.06      1.008
+  1872   opls_140    124    ILE    HD2    654       0.06      1.008
+  1873   opls_140    124    ILE    HD3    654       0.06      1.008
+  1874   opls_235    124    ILE      C    655        0.5     12.011
+  1875   opls_236    124    ILE      O    655       -0.5    15.9994   ; qtot 7
+; residue 125 ARG rtp ARG  q +1.0
+  1876   opls_238    125    ARG      N    656       -0.5    14.0067
+  1877   opls_241    125    ARG      H    656        0.3      1.008
+  1878  opls_224B    125    ARG     CA    656       0.14     12.011
+  1879   opls_140    125    ARG     HA    656       0.06      1.008
+  1880   opls_136    125    ARG     CB    657      -0.12     12.011
+  1881   opls_140    125    ARG    HB1    657       0.06      1.008
+  1882   opls_140    125    ARG    HB2    657       0.06      1.008
+  1883   opls_308    125    ARG     CG    658      -0.05     12.011
+  1884   opls_140    125    ARG    HG1    658       0.06      1.008
+  1885   opls_140    125    ARG    HG2    658       0.06      1.008
+  1886   opls_307    125    ARG     CD    659       0.19     12.011
+  1887   opls_140    125    ARG    HD1    659       0.06      1.008
+  1888   opls_140    125    ARG    HD2    659       0.06      1.008
+  1889   opls_303    125    ARG     NE    660       -0.7    14.0067
+  1890   opls_304    125    ARG     HE    660       0.44      1.008
+  1891   opls_302    125    ARG     CZ    660       0.64     12.011
+  1892   opls_300    125    ARG    NH1    661       -0.8    14.0067
+  1893   opls_301    125    ARG   HH11    661       0.46      1.008
+  1894   opls_301    125    ARG   HH12    661       0.46      1.008
+  1895   opls_300    125    ARG    NH2    662       -0.8    14.0067
+  1896   opls_301    125    ARG   HH21    662       0.46      1.008
+  1897   opls_301    125    ARG   HH22    662       0.46      1.008
+  1898   opls_235    125    ARG      C    663        0.5     12.011
+  1899   opls_236    125    ARG      O    663       -0.5    15.9994   ; qtot 8
+; residue 126 GLY rtp GLY  q  0.0
+  1900   opls_238    126    GLY      N    664       -0.5    14.0067
+  1901   opls_241    126    GLY      H    664        0.3      1.008
+  1902  opls_223B    126    GLY     CA    664       0.08     12.011
+  1903   opls_140    126    GLY    HA1    664       0.06      1.008
+  1904   opls_140    126    GLY    HA2    664       0.06      1.008
+  1905   opls_235    126    GLY      C    665        0.5     12.011
+  1906   opls_236    126    GLY      O    665       -0.5    15.9994   ; qtot 8
+; residue 127 CYS rtp CYS2 q  0.0
+  1907   opls_238    127    CYS      N    666       -0.5    14.0067
+  1908   opls_241    127    CYS      H    666        0.3      1.008
+  1909  opls_224B    127    CYS     CA    666       0.14     12.011
+  1910   opls_140    127    CYS     HA    666       0.06      1.008
+  1911   opls_214    127    CYS     CB    667     0.0975     12.011
+  1912   opls_140    127    CYS    HB1    667       0.06      1.008
+  1913   opls_140    127    CYS    HB2    667       0.06      1.008
+  1914   opls_203    127    CYS     SG    667    -0.2175      32.06
+  1915   opls_235    127    CYS      C    668        0.5     12.011
+  1916   opls_236    127    CYS      O    668       -0.5    15.9994   ; qtot 8
+; residue 128 ARG rtp ARG  q +1.0
+  1917   opls_238    128    ARG      N    669       -0.5    14.0067
+  1918   opls_241    128    ARG      H    669        0.3      1.008
+  1919  opls_224B    128    ARG     CA    669       0.14     12.011
+  1920   opls_140    128    ARG     HA    669       0.06      1.008
+  1921   opls_136    128    ARG     CB    670      -0.12     12.011
+  1922   opls_140    128    ARG    HB1    670       0.06      1.008
+  1923   opls_140    128    ARG    HB2    670       0.06      1.008
+  1924   opls_308    128    ARG     CG    671      -0.05     12.011
+  1925   opls_140    128    ARG    HG1    671       0.06      1.008
+  1926   opls_140    128    ARG    HG2    671       0.06      1.008
+  1927   opls_307    128    ARG     CD    672       0.19     12.011
+  1928   opls_140    128    ARG    HD1    672       0.06      1.008
+  1929   opls_140    128    ARG    HD2    672       0.06      1.008
+  1930   opls_303    128    ARG     NE    673       -0.7    14.0067
+  1931   opls_304    128    ARG     HE    673       0.44      1.008
+  1932   opls_302    128    ARG     CZ    673       0.64     12.011
+  1933   opls_300    128    ARG    NH1    674       -0.8    14.0067
+  1934   opls_301    128    ARG   HH11    674       0.46      1.008
+  1935   opls_301    128    ARG   HH12    674       0.46      1.008
+  1936   opls_300    128    ARG    NH2    675       -0.8    14.0067
+  1937   opls_301    128    ARG   HH21    675       0.46      1.008
+  1938   opls_301    128    ARG   HH22    675       0.46      1.008
+  1939   opls_235    128    ARG      C    676        0.5     12.011
+  1940   opls_236    128    ARG      O    676       -0.5    15.9994   ; qtot 9
+; residue 129 LEU rtp LEU  q -1.0
+  1941   opls_238    129    LEU      N    677       -0.5    14.0067
+  1942   opls_241    129    LEU      H    677        0.3      1.008
+  1943   opls_283    129    LEU     CA    677       0.04     12.011
+  1944   opls_140    129    LEU     HA    677       0.06      1.008
+  1945   opls_136    129    LEU     CB    678      -0.12     12.011
+  1946   opls_140    129    LEU    HB1    678       0.06      1.008
+  1947   opls_140    129    LEU    HB2    678       0.06      1.008
+  1948   opls_137    129    LEU     CG    679      -0.06     12.011
+  1949   opls_140    129    LEU     HG    679       0.06      1.008
+  1950   opls_135    129    LEU    CD1    680      -0.18     12.011
+  1951   opls_140    129    LEU   HD11    680       0.06      1.008
+  1952   opls_140    129    LEU   HD12    680       0.06      1.008
+  1953   opls_140    129    LEU   HD13    680       0.06      1.008
+  1954   opls_135    129    LEU    CD2    681      -0.18     12.011
+  1955   opls_140    129    LEU   HD21    681       0.06      1.008
+  1956   opls_140    129    LEU   HD22    681       0.06      1.008
+  1957   opls_140    129    LEU   HD23    681       0.06      1.008
+  1958   opls_271    129    LEU      C    682        0.7     12.011
+  1959   opls_272    129    LEU     O1    682       -0.8    15.9994
+  1960   opls_272    129    LEU     O2    682       -0.8    15.9994   ; qtot 8
+
+[ bonds ]
+;  ai    aj funct            c0            c1            c2            c3
+    1     2     1 
+    1     3     1 
+    1     4     1 
+    1     5     1 
+    5     6     1 
+    5     7     1 
+    5    23     1 
+    7     8     1 
+    7     9     1 
+    7    10     1 
+   10    11     1 
+   10    12     1 
+   10    13     1 
+   13    14     1 
+   13    15     1 
+   13    16     1 
+   16    17     1 
+   16    18     1 
+   16    19     1 
+   19    20     1 
+   19    21     1 
+   19    22     1 
+   23    24     1 
+   23    25     1 
+   25    26     1 
+   25    27     1 
+   27    28     1 
+   27    29     1 
+   27    39     1 
+   29    30     1 
+   29    31     1 
+   29    35     1 
+   31    32     1 
+   31    33     1 
+   31    34     1 
+   35    36     1 
+   35    37     1 
+   35    38     1 
+   39    40     1 
+   39    41     1 
+   41    42     1 
+   41    43     1 
+   43    44     1 
+   43    45     1 
+   43    59     1 
+   45    46     1 
+   45    47     1 
+   45    48     1 
+   48    49     1 
+   48    51     1 
+   49    50     1 
+   49    53     1 
+   51    52     1 
+   51    55     1 
+   53    54     1 
+   53    57     1 
+   55    56     1 
+   55    57     1 
+   57    58     1 
+   59    60     1 
+   59    61     1 
+   61    62     1 
+   61    63     1 
+   63    64     1 
+   63    65     1 
+   63    66     1 
+   66    67     1 
+   66    68     1 
+   68    69     1 
+   68    70     1 
+   70    71     1 
+   70    72     1 
+   70    90     1 
+   72    73     1 
+   72    74     1 
+   72    75     1 
+   75    76     1 
+   75    77     1 
+   75    78     1 
+   78    79     1 
+   78    80     1 
+   78    81     1 
+   81    82     1 
+   81    83     1 
+   83    84     1 
+   83    87     1 
+   84    85     1 
+   84    86     1 
+   87    88     1 
+   87    89     1 
+   90    91     1 
+   90    92     1 
+   92    93     1 
+   92    94     1 
+   94    95     1 
+   94    96     1 
+   94   100     1 
+   96    97     1 
+   96    98     1 
+   96    99     1 
+   99  1914     1 
+  100   101     1 
+  100   102     1 
+  102   103     1 
+  102   104     1 
+  104   105     1 
+  104   106     1 
+  104   115     1 
+  106   107     1 
+  106   108     1 
+  106   109     1 
+  109   110     1 
+  109   111     1 
+  109   112     1 
+  112   113     1 
+  112   114     1 
+  115   116     1 
+  115   117     1 
+  117   118     1 
+  117   119     1 
+  119   120     1 
+  119   121     1 
+  119   134     1 
+  121   122     1 
+  121   123     1 
+  121   124     1 
+  124   125     1 
+  124   126     1 
+  124   130     1 
+  126   127     1 
+  126   128     1 
+  126   129     1 
+  130   131     1 
+  130   132     1 
+  130   133     1 
+  134   135     1 
+  134   136     1 
+  136   137     1 
+  136   138     1 
+  138   139     1 
+  138   140     1 
+  138   144     1 
+  140   141     1 
+  140   142     1 
+  140   143     1 
+  144   145     1 
+  144   146     1 
+  146   147     1 
+  146   148     1 
+  148   149     1 
+  148   150     1 
+  148   154     1 
+  150   151     1 
+  150   152     1 
+  150   153     1 
+  154   155     1 
+  154   156     1 
+  156   157     1 
+  156   158     1 
+  158   159     1 
+  158   160     1 
+  158   164     1 
+  160   161     1 
+  160   162     1 
+  160   163     1 
+  164   165     1 
+  164   166     1 
+  166   167     1 
+  166   168     1 
+  168   169     1 
+  168   170     1 
+  168   181     1 
+  170   171     1 
+  170   172     1 
+  170   173     1 
+  173   174     1 
+  173   175     1 
+  173   176     1 
+  176   177     1 
+  177   178     1 
+  177   179     1 
+  177   180     1 
+  181   182     1 
+  181   183     1 
+  183   184     1 
+  183   185     1 
+  185   186     1 
+  185   187     1 
+  185   203     1 
+  187   188     1 
+  187   189     1 
+  187   190     1 
+  190   191     1 
+  190   192     1 
+  190   193     1 
+  193   194     1 
+  193   195     1 
+  193   196     1 
+  196   197     1 
+  196   198     1 
+  196   199     1 
+  199   200     1 
+  199   201     1 
+  199   202     1 
+  203   204     1 
+  203   205     1 
+  205   206     1 
+  205   207     1 
+  207   208     1 
+  207   209     1 
+  207   227     1 
+  209   210     1 
+  209   211     1 
+  209   212     1 
+  212   213     1 
+  212   214     1 
+  212   215     1 
+  215   216     1 
+  215   217     1 
+  215   218     1 
+  218   219     1 
+  218   220     1 
+  220   221     1 
+  220   224     1 
+  221   222     1 
+  221   223     1 
+  224   225     1 
+  224   226     1 
+  227   228     1 
+  227   229     1 
+  229   230     1 
+  229   231     1 
+  231   232     1 
+  231   233     1 
+  231   244     1 
+  233   234     1 
+  233   235     1 
+  233   236     1 
+  236   237     1 
+  236   238     1 
+  237   240     1 
+  238   239     1 
+  238   242     1 
+  240   241     1 
+  240   242     1 
+  242   243     1 
+  244   245     1 
+  244   246     1 
+  246   247     1 
+  246   248     1 
+  248   249     1 
+  248   250     1 
+  248   251     1 
+  251   252     1 
+  251   253     1 
+  253   254     1 
+  253   255     1 
+  255   256     1 
+  255   257     1 
+  255   270     1 
+  257   258     1 
+  257   259     1 
+  257   260     1 
+  260   261     1 
+  260   262     1 
+  260   266     1 
+  262   263     1 
+  262   264     1 
+  262   265     1 
+  266   267     1 
+  266   268     1 
+  266   269     1 
+  270   271     1 
+  270   272     1 
+  272   273     1 
+  272   274     1 
+  274   275     1 
+  274   276     1 
+  274   282     1 
+  276   277     1 
+  276   278     1 
+  276   279     1 
+  279   280     1 
+  279   281     1 
+  282   283     1 
+  282   284     1 
+  284   285     1 
+  284   286     1 
+  286   287     1 
+  286   288     1 
+  286   296     1 
+  288   289     1 
+  288   290     1 
+  288   291     1 
+  291   292     1 
+  291   293     1 
+  293   294     1 
+  293   295     1 
+  296   297     1 
+  296   298     1 
+  298   299     1 
+  298   300     1 
+  300   301     1 
+  300   302     1 
+  300   317     1 
+  302   303     1 
+  302   304     1 
+  302   305     1 
+  305   306     1 
+  305   308     1 
+  306   307     1 
+  306   310     1 
+  308   309     1 
+  308   312     1 
+  310   311     1 
+  310   314     1 
+  312   313     1 
+  312   314     1 
+  314   315     1 
+  315   316     1 
+  317   318     1 
+  317   319     1 
+  319   320     1 
+  319   321     1 
+  321   322     1 
+  321   323     1 
+  321   341     1 
+  323   324     1 
+  323   325     1 
+  323   326     1 
+  326   327     1 
+  326   328     1 
+  326   329     1 
+  329   330     1 
+  329   331     1 
+  329   332     1 
+  332   333     1 
+  332   334     1 
+  334   335     1 
+  334   338     1 
+  335   336     1 
+  335   337     1 
+  338   339     1 
+  338   340     1 
+  341   342     1 
+  341   343     1 
+  343   344     1 
+  343   345     1 
+  345   346     1 
+  345   347     1 
+  345   348     1 
+  348   349     1 
+  348   350     1 
+  350   351     1 
+  350   352     1 
+  352   353     1 
+  352   354     1 
+  352   369     1 
+  354   355     1 
+  354   356     1 
+  354   357     1 
+  357   358     1 
+  357   360     1 
+  358   359     1 
+  358   362     1 
+  360   361     1 
+  360   364     1 
+  362   363     1 
+  362   366     1 
+  364   365     1 
+  364   366     1 
+  366   367     1 
+  367   368     1 
+  369   370     1 
+  369   371     1 
+  371   372     1 
+  371   373     1 
+  373   374     1 
+  373   375     1 
+  373   380     1 
+  375   376     1 
+  375   377     1 
+  375   378     1 
+  378   379     1 
+  380   381     1 
+  380   382     1 
+  382   383     1 
+  382   384     1 
+  384   385     1 
+  384   386     1 
+  384   399     1 
+  386   387     1 
+  386   388     1 
+  386   389     1 
+  389   390     1 
+  389   391     1 
+  389   395     1 
+  391   392     1 
+  391   393     1 
+  391   394     1 
+  395   396     1 
+  395   397     1 
+  395   398     1 
+  399   400     1 
+  399   401     1 
+  401   402     1 
+  401   403     1 
+  403   404     1 
+  403   405     1 
+  403   406     1 
+  406   407     1 
+  406   408     1 
+  408   409     1 
+  408   410     1 
+  410   411     1 
+  410   412     1 
+  410   420     1 
+  412   413     1 
+  412   414     1 
+  412   415     1 
+  415   416     1 
+  415   417     1 
+  417   418     1 
+  417   419     1 
+  420   421     1 
+  420   422     1 
+  422   423     1 
+  422   424     1 
+  424   425     1 
+  424   426     1 
+  424   444     1 
+  426   427     1 
+  426   428     1 
+  426   429     1 
+  429   430     1 
+  429   432     1 
+  430   431     1 
+  430   433     1 
+  432   435     1 
+  432   436     1 
+  433   434     1 
+  433   435     1 
+  435   438     1 
+  436   437     1 
+  436   440     1 
+  438   439     1 
+  438   442     1 
+  440   441     1 
+  440   442     1 
+  442   443     1 
+  444   445     1 
+  444   446     1 
+  446   447     1 
+  446   448     1 
+  448   449     1 
+  448   450     1 
+  448   460     1 
+  450   451     1 
+  450   452     1 
+  450   456     1 
+  452   453     1 
+  452   454     1 
+  452   455     1 
+  456   457     1 
+  456   458     1 
+  456   459     1 
+  460   461     1 
+  460   462     1 
+  462   463     1 
+  462   464     1 
+  464   465     1 
+  464   466     1 
+  464   470     1 
+  466   467     1 
+  466   468     1 
+  466   469     1 
+  469  1732     1 
+  470   471     1 
+  470   472     1 
+  472   473     1 
+  472   474     1 
+  474   475     1 
+  474   476     1 
+  474   480     1 
+  476   477     1 
+  476   478     1 
+  476   479     1 
+  480   481     1 
+  480   482     1 
+  482   483     1 
+  482   484     1 
+  484   485     1 
+  484   486     1 
+  484   490     1 
+  486   487     1 
+  486   488     1 
+  486   489     1 
+  490   491     1 
+  490   492     1 
+  492   493     1 
+  492   494     1 
+  494   495     1 
+  494   496     1 
+  494   512     1 
+  496   497     1 
+  496   498     1 
+  496   499     1 
+  499   500     1 
+  499   501     1 
+  499   502     1 
+  502   503     1 
+  502   504     1 
+  502   505     1 
+  505   506     1 
+  505   507     1 
+  505   508     1 
+  508   509     1 
+  508   510     1 
+  508   511     1 
+  512   513     1 
+  512   514     1 
+  514   515     1 
+  514   516     1 
+  516   517     1 
+  516   518     1 
+  516   532     1 
+  518   519     1 
+  518   520     1 
+  518   521     1 
+  521   522     1 
+  521   524     1 
+  522   523     1 
+  522   526     1 
+  524   525     1 
+  524   528     1 
+  526   527     1 
+  526   530     1 
+  528   529     1 
+  528   530     1 
+  530   531     1 
+  532   533     1 
+  532   534     1 
+  534   535     1 
+  534   536     1 
+  536   537     1 
+  536   538     1 
+  536   547     1 
+  538   539     1 
+  538   540     1 
+  538   541     1 
+  541   542     1 
+  541   543     1 
+  541   544     1 
+  544   545     1 
+  544   546     1 
+  547   548     1 
+  547   549     1 
+  549   550     1 
+  549   551     1 
+  551   552     1 
+  551   553     1 
+  551   558     1 
+  553   554     1 
+  553   555     1 
+  553   556     1 
+  556   557     1 
+  558   559     1 
+  558   560     1 
+  560   561     1 
+  560   562     1 
+  562   563     1 
+  562   564     1 
+  562   572     1 
+  564   565     1 
+  564   566     1 
+  564   567     1 
+  567   568     1 
+  567   569     1 
+  569   570     1 
+  569   571     1 
+  572   573     1 
+  572   574     1 
+  574   575     1 
+  574   576     1 
+  576   577     1 
+  576   578     1 
+  576   592     1 
+  578   579     1 
+  578   580     1 
+  578   581     1 
+  581   582     1 
+  581   584     1 
+  582   583     1 
+  582   586     1 
+  584   585     1 
+  584   588     1 
+  586   587     1 
+  586   590     1 
+  588   589     1 
+  588   590     1 
+  590   591     1 
+  592   593     1 
+  592   594     1 
+  594   595     1 
+  594   596     1 
+  596   597     1 
+  596   598     1 
+  596   606     1 
+  598   599     1 
+  598   600     1 
+  598   601     1 
+  601   602     1 
+  601   603     1 
+  603   604     1 
+  603   605     1 
+  606   607     1 
+  606   608     1 
+  608   609     1 
+  608   610     1 
+  610   611     1 
+  610   612     1 
+  610   620     1 
+  612   613     1 
+  612   614     1 
+  612   616     1 
+  614   615     1 
+  616   617     1 
+  616   618     1 
+  616   619     1 
+  620   621     1 
+  620   622     1 
+  622   623     1 
+  622   624     1 
+  624   625     1 
+  624   626     1 
+  624   637     1 
+  626   627     1 
+  626   628     1 
+  626   629     1 
+  629   630     1 
+  629   631     1 
+  629   632     1 
+  632   633     1 
+  632   634     1 
+  634   635     1 
+  634   636     1 
+  637   638     1 
+  637   639     1 
+  639   640     1 
+  639   641     1 
+  641   642     1 
+  641   643     1 
+  641   647     1 
+  643   644     1 
+  643   645     1 
+  643   646     1 
+  647   648     1 
+  647   649     1 
+  649   650     1 
+  649   651     1 
+  651   652     1 
+  651   653     1 
+  651   661     1 
+  653   654     1 
+  653   655     1 
+  653   657     1 
+  655   656     1 
+  657   658     1 
+  657   659     1 
+  657   660     1 
+  661   662     1 
+  661   663     1 
+  663   664     1 
+  663   665     1 
+  665   666     1 
+  665   667     1 
+  665   675     1 
+  667   668     1 
+  667   669     1 
+  667   670     1 
+  670   671     1 
+  670   672     1 
+  672   673     1 
+  672   674     1 
+  675   676     1 
+  675   677     1 
+  677   678     1 
+  677   679     1 
+  679   680     1 
+  679   681     1 
+  679   699     1 
+  681   682     1 
+  681   683     1 
+  681   684     1 
+  684   685     1 
+  684   686     1 
+  684   687     1 
+  687   688     1 
+  687   689     1 
+  687   690     1 
+  690   691     1 
+  690   692     1 
+  692   693     1 
+  692   696     1 
+  693   694     1 
+  693   695     1 
+  696   697     1 
+  696   698     1 
+  699   700     1 
+  699   701     1 
+  701   702     1 
+  701   703     1 
+  703   704     1 
+  703   705     1 
+  703   713     1 
+  705   706     1 
+  705   707     1 
+  705   708     1 
+  708   709     1 
+  708   710     1 
+  710   711     1 
+  710   712     1 
+  713   714     1 
+  713   715     1 
+  715   716     1 
+  715   717     1 
+  717   718     1 
+  717   719     1 
+  717   727     1 
+  719   720     1 
+  719   721     1 
+  719   723     1 
+  721   722     1 
+  723   724     1 
+  723   725     1 
+  723   726     1 
+  727   728     1 
+  727   729     1 
+  729   730     1 
+  729   731     1 
+  731   732     1 
+  731   733     1 
+  731   739     1 
+  733   734     1 
+  733   735     1 
+  733   736     1 
+  736   737     1 
+  736   738     1 
+  739   740     1 
+  739   741     1 
+  741   742     1 
+  741   743     1 
+  743   744     1 
+  743   745     1 
+  743   746     1 
+  746   747     1 
+  746   748     1 
+  748   749     1 
+  748   750     1 
+  750   751     1 
+  750   752     1 
+  750   757     1 
+  752   753     1 
+  752   754     1 
+  752   755     1 
+  755   756     1 
+  757   758     1 
+  757   759     1 
+  759   760     1 
+  759   761     1 
+  761   762     1 
+  761   763     1 
+  761   771     1 
+  763   764     1 
+  763   765     1 
+  763   767     1 
+  765   766     1 
+  767   768     1 
+  767   769     1 
+  767   770     1 
+  771   772     1 
+  771   773     1 
+  773   774     1 
+  773   775     1 
+  775   776     1 
+  775   777     1 
+  775   783     1 
+  777   778     1 
+  777   779     1 
+  777   780     1 
+  780   781     1 
+  780   782     1 
+  783   784     1 
+  783   785     1 
+  785   786     1 
+  785   787     1 
+  787   788     1 
+  787   789     1 
+  787   804     1 
+  789   790     1 
+  789   791     1 
+  789   792     1 
+  792   793     1 
+  792   795     1 
+  793   794     1 
+  793   797     1 
+  795   796     1 
+  795   799     1 
+  797   798     1 
+  797   801     1 
+  799   800     1 
+  799   801     1 
+  801   802     1 
+  802   803     1 
+  804   805     1 
+  804   806     1 
+  806   807     1 
+  806   808     1 
+  808   809     1 
+  808   810     1 
+  808   811     1 
+  811   812     1 
+  811   813     1 
+  813   814     1 
+  813   815     1 
+  815   816     1 
+  815   817     1 
+  815   830     1 
+  817   818     1 
+  817   819     1 
+  817   822     1 
+  819   820     1 
+  819   821     1 
+  819   826     1 
+  822   823     1 
+  822   824     1 
+  822   825     1 
+  826   827     1 
+  826   828     1 
+  826   829     1 
+  830   831     1 
+  830   832     1 
+  832   833     1 
+  832   834     1 
+  834   835     1 
+  834   836     1 
+  834   849     1 
+  836   837     1 
+  836   838     1 
+  836   839     1 
+  839   840     1 
+  839   841     1 
+  839   845     1 
+  841   842     1 
+  841   843     1 
+  841   844     1 
+  845   846     1 
+  845   847     1 
+  845   848     1 
+  849   850     1 
+  849   851     1 
+  851   852     1 
+  851   853     1 
+  853   854     1 
+  853   855     1 
+  853   866     1 
+  855   856     1 
+  855   857     1 
+  855   858     1 
+  858   859     1 
+  858   860     1 
+  858   861     1 
+  861   862     1 
+  861   863     1 
+  863   864     1 
+  863   865     1 
+  866   867     1 
+  866   868     1 
+  868   869     1 
+  868   870     1 
+  870   871     1 
+  870   872     1 
+  870   885     1 
+  872   873     1 
+  872   874     1 
+  872   877     1 
+  874   875     1 
+  874   876     1 
+  874   881     1 
+  877   878     1 
+  877   879     1 
+  877   880     1 
+  881   882     1 
+  881   883     1 
+  881   884     1 
+  885   886     1 
+  885   887     1 
+  887   888     1 
+  887   889     1 
+  889   890     1 
+  889   891     1 
+  889   899     1 
+  891   892     1 
+  891   893     1 
+  891   894     1 
+  894   895     1 
+  894   896     1 
+  896   897     1 
+  896   898     1 
+  899   900     1 
+  899   901     1 
+  901   902     1 
+  901   903     1 
+  903   904     1 
+  903   905     1 
+  903   910     1 
+  905   906     1 
+  905   907     1 
+  905   908     1 
+  908   909     1 
+  910   911     1 
+  910   912     1 
+  912   913     1 
+  912   914     1 
+  914   915     1 
+  914   916     1 
+  914   934     1 
+  916   917     1 
+  916   918     1 
+  916   919     1 
+  919   920     1 
+  919   921     1 
+  919   922     1 
+  922   923     1 
+  922   924     1 
+  922   925     1 
+  925   926     1 
+  925   927     1 
+  927   928     1 
+  927   931     1 
+  928   929     1 
+  928   930     1 
+  931   932     1 
+  931   933     1 
+  934   935     1 
+  934   936     1 
+  936   937     1 
+  936   938     1 
+  938   939     1 
+  938   940     1 
+  938   958     1 
+  940   941     1 
+  940   942     1 
+  940   943     1 
+  943   944     1 
+  943   946     1 
+  944   945     1 
+  944   947     1 
+  946   949     1 
+  946   950     1 
+  947   948     1 
+  947   949     1 
+  949   952     1 
+  950   951     1 
+  950   954     1 
+  952   953     1 
+  952   956     1 
+  954   955     1 
+  954   956     1 
+  956   957     1 
+  958   959     1 
+  958   960     1 
+  960   961     1 
+  960   962     1 
+  962   963     1 
+  962   964     1 
+  962   982     1 
+  964   965     1 
+  964   966     1 
+  964   967     1 
+  967   968     1 
+  967   970     1 
+  968   969     1 
+  968   971     1 
+  970   973     1 
+  970   974     1 
+  971   972     1 
+  971   973     1 
+  973   976     1 
+  974   975     1 
+  974   978     1 
+  976   977     1 
+  976   980     1 
+  978   979     1 
+  978   980     1 
+  980   981     1 
+  982   983     1 
+  982   984     1 
+  984   985     1 
+  984   986     1 
+  986   987     1 
+  986   988     1 
+  986   992     1 
+  988   989     1 
+  988   990     1 
+  988   991     1 
+  991  1218     1 
+  992   993     1 
+  992   994     1 
+  994   995     1 
+  994   996     1 
+  996   997     1 
+  996   998     1 
+  996  1006     1 
+  998   999     1 
+  998  1000     1 
+  998  1001     1 
+ 1001  1002     1 
+ 1001  1003     1 
+ 1003  1004     1 
+ 1003  1005     1 
+ 1006  1007     1 
+ 1006  1008     1 
+ 1008  1009     1 
+ 1008  1010     1 
+ 1010  1011     1 
+ 1010  1012     1 
+ 1010  1018     1 
+ 1012  1013     1 
+ 1012  1014     1 
+ 1012  1015     1 
+ 1015  1016     1 
+ 1015  1017     1 
+ 1018  1019     1 
+ 1018  1020     1 
+ 1020  1021     1 
+ 1020  1022     1 
+ 1022  1023     1 
+ 1022  1024     1 
+ 1022  1025     1 
+ 1025  1026     1 
+ 1025  1027     1 
+ 1027  1028     1 
+ 1027  1029     1 
+ 1029  1030     1 
+ 1029  1031     1 
+ 1029  1049     1 
+ 1031  1032     1 
+ 1031  1033     1 
+ 1031  1034     1 
+ 1034  1035     1 
+ 1034  1036     1 
+ 1034  1037     1 
+ 1037  1038     1 
+ 1037  1039     1 
+ 1037  1040     1 
+ 1040  1041     1 
+ 1040  1042     1 
+ 1042  1043     1 
+ 1042  1046     1 
+ 1043  1044     1 
+ 1043  1045     1 
+ 1046  1047     1 
+ 1046  1048     1 
+ 1049  1050     1 
+ 1049  1051     1 
+ 1051  1052     1 
+ 1051  1053     1 
+ 1053  1054     1 
+ 1053  1055     1 
+ 1053  1063     1 
+ 1055  1056     1 
+ 1055  1057     1 
+ 1055  1059     1 
+ 1057  1058     1 
+ 1059  1060     1 
+ 1059  1061     1 
+ 1059  1062     1 
+ 1063  1064     1 
+ 1063  1065     1 
+ 1065  1066     1 
+ 1065  1074     1 
+ 1066  1067     1 
+ 1066  1068     1 
+ 1066  1077     1 
+ 1068  1069     1 
+ 1068  1070     1 
+ 1068  1071     1 
+ 1071  1072     1 
+ 1071  1073     1 
+ 1071  1074     1 
+ 1074  1075     1 
+ 1074  1076     1 
+ 1077  1078     1 
+ 1077  1079     1 
+ 1079  1080     1 
+ 1079  1081     1 
+ 1081  1082     1 
+ 1081  1083     1 
+ 1081  1084     1 
+ 1084  1085     1 
+ 1084  1086     1 
+ 1086  1087     1 
+ 1086  1088     1 
+ 1088  1089     1 
+ 1088  1090     1 
+ 1088  1095     1 
+ 1090  1091     1 
+ 1090  1092     1 
+ 1090  1093     1 
+ 1093  1094     1 
+ 1095  1096     1 
+ 1095  1097     1 
+ 1097  1098     1 
+ 1097  1099     1 
+ 1099  1100     1 
+ 1099  1101     1 
+ 1099  1119     1 
+ 1101  1102     1 
+ 1101  1103     1 
+ 1101  1104     1 
+ 1104  1105     1 
+ 1104  1106     1 
+ 1104  1107     1 
+ 1107  1108     1 
+ 1107  1109     1 
+ 1107  1110     1 
+ 1110  1111     1 
+ 1110  1112     1 
+ 1112  1113     1 
+ 1112  1116     1 
+ 1113  1114     1 
+ 1113  1115     1 
+ 1116  1117     1 
+ 1116  1118     1 
+ 1119  1120     1 
+ 1119  1121     1 
+ 1121  1122     1 
+ 1121  1123     1 
+ 1123  1124     1 
+ 1123  1125     1 
+ 1123  1133     1 
+ 1125  1126     1 
+ 1125  1127     1 
+ 1125  1128     1 
+ 1128  1129     1 
+ 1128  1130     1 
+ 1130  1131     1 
+ 1130  1132     1 
+ 1133  1134     1 
+ 1133  1135     1 
+ 1135  1136     1 
+ 1135  1137     1 
+ 1137  1138     1 
+ 1137  1139     1 
+ 1137  1152     1 
+ 1139  1140     1 
+ 1139  1141     1 
+ 1139  1142     1 
+ 1142  1143     1 
+ 1142  1144     1 
+ 1142  1148     1 
+ 1144  1145     1 
+ 1144  1146     1 
+ 1144  1147     1 
+ 1148  1149     1 
+ 1148  1150     1 
+ 1148  1151     1 
+ 1152  1153     1 
+ 1152  1154     1 
+ 1154  1155     1 
+ 1154  1156     1 
+ 1156  1157     1 
+ 1156  1158     1 
+ 1156  1162     1 
+ 1158  1159     1 
+ 1158  1160     1 
+ 1158  1161     1 
+ 1161  1405     1 
+ 1162  1163     1 
+ 1162  1164     1 
+ 1164  1165     1 
+ 1164  1166     1 
+ 1166  1167     1 
+ 1166  1168     1 
+ 1166  1176     1 
+ 1168  1169     1 
+ 1168  1170     1 
+ 1168  1171     1 
+ 1171  1172     1 
+ 1171  1173     1 
+ 1173  1174     1 
+ 1173  1175     1 
+ 1176  1177     1 
+ 1176  1178     1 
+ 1178  1179     1 
+ 1178  1180     1 
+ 1180  1181     1 
+ 1180  1182     1 
+ 1180  1195     1 
+ 1182  1183     1 
+ 1182  1184     1 
+ 1182  1187     1 
+ 1184  1185     1 
+ 1184  1186     1 
+ 1184  1191     1 
+ 1187  1188     1 
+ 1187  1189     1 
+ 1187  1190     1 
+ 1191  1192     1 
+ 1191  1193     1 
+ 1191  1194     1 
+ 1195  1196     1 
+ 1195  1197     1 
+ 1197  1198     1 
+ 1197  1206     1 
+ 1198  1199     1 
+ 1198  1200     1 
+ 1198  1209     1 
+ 1200  1201     1 
+ 1200  1202     1 
+ 1200  1203     1 
+ 1203  1204     1 
+ 1203  1205     1 
+ 1203  1206     1 
+ 1206  1207     1 
+ 1206  1208     1 
+ 1209  1210     1 
+ 1209  1211     1 
+ 1211  1212     1 
+ 1211  1213     1 
+ 1213  1214     1 
+ 1213  1215     1 
+ 1213  1219     1 
+ 1215  1216     1 
+ 1215  1217     1 
+ 1215  1218     1 
+ 1219  1220     1 
+ 1219  1221     1 
+ 1221  1222     1 
+ 1221  1223     1 
+ 1223  1224     1 
+ 1223  1225     1 
+ 1223  1230     1 
+ 1225  1226     1 
+ 1225  1227     1 
+ 1225  1228     1 
+ 1228  1229     1 
+ 1230  1231     1 
+ 1230  1232     1 
+ 1232  1233     1 
+ 1232  1234     1 
+ 1234  1235     1 
+ 1234  1236     1 
+ 1234  1240     1 
+ 1236  1237     1 
+ 1236  1238     1 
+ 1236  1239     1 
+ 1240  1241     1 
+ 1240  1242     1 
+ 1242  1243     1 
+ 1242  1244     1 
+ 1244  1245     1 
+ 1244  1246     1 
+ 1244  1259     1 
+ 1246  1247     1 
+ 1246  1248     1 
+ 1246  1249     1 
+ 1249  1250     1 
+ 1249  1251     1 
+ 1249  1255     1 
+ 1251  1252     1 
+ 1251  1253     1 
+ 1251  1254     1 
+ 1255  1256     1 
+ 1255  1257     1 
+ 1255  1258     1 
+ 1259  1260     1 
+ 1259  1261     1 
+ 1261  1262     1 
+ 1261  1263     1 
+ 1263  1264     1 
+ 1263  1265     1 
+ 1263  1278     1 
+ 1265  1266     1 
+ 1265  1267     1 
+ 1265  1268     1 
+ 1268  1269     1 
+ 1268  1270     1 
+ 1268  1274     1 
+ 1270  1271     1 
+ 1270  1272     1 
+ 1270  1273     1 
+ 1274  1275     1 
+ 1274  1276     1 
+ 1274  1277     1 
+ 1278  1279     1 
+ 1278  1280     1 
+ 1280  1281     1 
+ 1280  1282     1 
+ 1282  1283     1 
+ 1282  1284     1 
+ 1282  1289     1 
+ 1284  1285     1 
+ 1284  1286     1 
+ 1284  1287     1 
+ 1287  1288     1 
+ 1289  1290     1 
+ 1289  1291     1 
+ 1291  1292     1 
+ 1291  1293     1 
+ 1293  1294     1 
+ 1293  1295     1 
+ 1293  1300     1 
+ 1295  1296     1 
+ 1295  1297     1 
+ 1295  1298     1 
+ 1298  1299     1 
+ 1300  1301     1 
+ 1300  1302     1 
+ 1302  1303     1 
+ 1302  1304     1 
+ 1304  1305     1 
+ 1304  1306     1 
+ 1304  1312     1 
+ 1306  1307     1 
+ 1306  1308     1 
+ 1306  1309     1 
+ 1309  1310     1 
+ 1309  1311     1 
+ 1312  1313     1 
+ 1312  1314     1 
+ 1314  1315     1 
+ 1314  1316     1 
+ 1316  1317     1 
+ 1316  1318     1 
+ 1316  1331     1 
+ 1318  1319     1 
+ 1318  1320     1 
+ 1318  1323     1 
+ 1320  1321     1 
+ 1320  1322     1 
+ 1320  1327     1 
+ 1323  1324     1 
+ 1323  1325     1 
+ 1323  1326     1 
+ 1327  1328     1 
+ 1327  1329     1 
+ 1327  1330     1 
+ 1331  1332     1 
+ 1331  1333     1 
+ 1333  1334     1 
+ 1333  1335     1 
+ 1335  1336     1 
+ 1335  1337     1 
+ 1335  1345     1 
+ 1337  1338     1 
+ 1337  1339     1 
+ 1337  1341     1 
+ 1339  1340     1 
+ 1341  1342     1 
+ 1341  1343     1 
+ 1341  1344     1 
+ 1345  1346     1 
+ 1345  1347     1 
+ 1347  1348     1 
+ 1347  1349     1 
+ 1349  1350     1 
+ 1349  1351     1 
+ 1349  1355     1 
+ 1351  1352     1 
+ 1351  1353     1 
+ 1351  1354     1 
+ 1355  1356     1 
+ 1355  1357     1 
+ 1357  1358     1 
+ 1357  1359     1 
+ 1359  1360     1 
+ 1359  1361     1 
+ 1359  1366     1 
+ 1361  1362     1 
+ 1361  1363     1 
+ 1361  1364     1 
+ 1364  1365     1 
+ 1366  1367     1 
+ 1366  1368     1 
+ 1368  1369     1 
+ 1368  1370     1 
+ 1370  1371     1 
+ 1370  1372     1 
+ 1370  1382     1 
+ 1372  1373     1 
+ 1372  1374     1 
+ 1372  1378     1 
+ 1374  1375     1 
+ 1374  1376     1 
+ 1374  1377     1 
+ 1378  1379     1 
+ 1378  1380     1 
+ 1378  1381     1 
+ 1382  1383     1 
+ 1382  1384     1 
+ 1384  1385     1 
+ 1384  1386     1 
+ 1386  1387     1 
+ 1386  1388     1 
+ 1386  1396     1 
+ 1388  1389     1 
+ 1388  1390     1 
+ 1388  1391     1 
+ 1391  1392     1 
+ 1391  1393     1 
+ 1393  1394     1 
+ 1393  1395     1 
+ 1396  1397     1 
+ 1396  1398     1 
+ 1398  1399     1 
+ 1398  1400     1 
+ 1400  1401     1 
+ 1400  1402     1 
+ 1400  1406     1 
+ 1402  1403     1 
+ 1402  1404     1 
+ 1402  1405     1 
+ 1406  1407     1 
+ 1406  1408     1 
+ 1408  1409     1 
+ 1408  1410     1 
+ 1410  1411     1 
+ 1410  1412     1 
+ 1410  1416     1 
+ 1412  1413     1 
+ 1412  1414     1 
+ 1412  1415     1 
+ 1416  1417     1 
+ 1416  1418     1 
+ 1418  1419     1 
+ 1418  1420     1 
+ 1420  1421     1 
+ 1420  1422     1 
+ 1420  1438     1 
+ 1422  1423     1 
+ 1422  1424     1 
+ 1422  1425     1 
+ 1425  1426     1 
+ 1425  1427     1 
+ 1425  1428     1 
+ 1428  1429     1 
+ 1428  1430     1 
+ 1428  1431     1 
+ 1431  1432     1 
+ 1431  1433     1 
+ 1431  1434     1 
+ 1434  1435     1 
+ 1434  1436     1 
+ 1434  1437     1 
+ 1438  1439     1 
+ 1438  1440     1 
+ 1440  1441     1 
+ 1440  1442     1 
+ 1442  1443     1 
+ 1442  1444     1 
+ 1442  1460     1 
+ 1444  1445     1 
+ 1444  1446     1 
+ 1444  1447     1 
+ 1447  1448     1 
+ 1447  1449     1 
+ 1447  1450     1 
+ 1450  1451     1 
+ 1450  1452     1 
+ 1450  1453     1 
+ 1453  1454     1 
+ 1453  1455     1 
+ 1453  1456     1 
+ 1456  1457     1 
+ 1456  1458     1 
+ 1456  1459     1 
+ 1460  1461     1 
+ 1460  1462     1 
+ 1462  1463     1 
+ 1462  1464     1 
+ 1464  1465     1 
+ 1464  1466     1 
+ 1464  1479     1 
+ 1466  1467     1 
+ 1466  1468     1 
+ 1466  1471     1 
+ 1468  1469     1 
+ 1468  1470     1 
+ 1468  1475     1 
+ 1471  1472     1 
+ 1471  1473     1 
+ 1471  1474     1 
+ 1475  1476     1 
+ 1475  1477     1 
+ 1475  1478     1 
+ 1479  1480     1 
+ 1479  1481     1 
+ 1481  1482     1 
+ 1481  1483     1 
+ 1483  1484     1 
+ 1483  1485     1 
+ 1483  1495     1 
+ 1485  1486     1 
+ 1485  1487     1 
+ 1485  1491     1 
+ 1487  1488     1 
+ 1487  1489     1 
+ 1487  1490     1 
+ 1491  1492     1 
+ 1491  1493     1 
+ 1491  1494     1 
+ 1495  1496     1 
+ 1495  1497     1 
+ 1497  1498     1 
+ 1497  1499     1 
+ 1499  1500     1 
+ 1499  1501     1 
+ 1499  1506     1 
+ 1501  1502     1 
+ 1501  1503     1 
+ 1501  1504     1 
+ 1504  1505     1 
+ 1506  1507     1 
+ 1506  1508     1 
+ 1508  1509     1 
+ 1508  1510     1 
+ 1510  1511     1 
+ 1510  1512     1 
+ 1510  1518     1 
+ 1512  1513     1 
+ 1512  1514     1 
+ 1512  1515     1 
+ 1515  1516     1 
+ 1515  1517     1 
+ 1518  1519     1 
+ 1518  1520     1 
+ 1520  1521     1 
+ 1520  1522     1 
+ 1522  1523     1 
+ 1522  1524     1 
+ 1522  1525     1 
+ 1525  1526     1 
+ 1525  1527     1 
+ 1527  1528     1 
+ 1527  1529     1 
+ 1529  1530     1 
+ 1529  1531     1 
+ 1529  1539     1 
+ 1531  1532     1 
+ 1531  1533     1 
+ 1531  1534     1 
+ 1534  1535     1 
+ 1534  1536     1 
+ 1536  1537     1 
+ 1536  1538     1 
+ 1539  1540     1 
+ 1539  1541     1 
+ 1541  1542     1 
+ 1541  1543     1 
+ 1543  1544     1 
+ 1543  1545     1 
+ 1543  1546     1 
+ 1546  1547     1 
+ 1546  1548     1 
+ 1548  1549     1 
+ 1548  1550     1 
+ 1550  1551     1 
+ 1550  1552     1 
+ 1550  1563     1 
+ 1552  1553     1 
+ 1552  1554     1 
+ 1552  1555     1 
+ 1555  1556     1 
+ 1555  1557     1 
+ 1555  1558     1 
+ 1558  1559     1 
+ 1559  1560     1 
+ 1559  1561     1 
+ 1559  1562     1 
+ 1563  1564     1 
+ 1563  1565     1 
+ 1565  1566     1 
+ 1565  1567     1 
+ 1567  1568     1 
+ 1567  1569     1 
+ 1567  1577     1 
+ 1569  1570     1 
+ 1569  1571     1 
+ 1569  1572     1 
+ 1572  1573     1 
+ 1572  1574     1 
+ 1574  1575     1 
+ 1574  1576     1 
+ 1577  1578     1 
+ 1577  1579     1 
+ 1579  1580     1 
+ 1579  1581     1 
+ 1581  1582     1 
+ 1581  1583     1 
+ 1581  1587     1 
+ 1583  1584     1 
+ 1583  1585     1 
+ 1583  1586     1 
+ 1587  1588     1 
+ 1587  1589     1 
+ 1589  1590     1 
+ 1589  1591     1 
+ 1591  1592     1 
+ 1591  1593     1 
+ 1591  1611     1 
+ 1593  1594     1 
+ 1593  1595     1 
+ 1593  1596     1 
+ 1596  1597     1 
+ 1596  1599     1 
+ 1597  1598     1 
+ 1597  1600     1 
+ 1599  1602     1 
+ 1599  1603     1 
+ 1600  1601     1 
+ 1600  1602     1 
+ 1602  1605     1 
+ 1603  1604     1 
+ 1603  1607     1 
+ 1605  1606     1 
+ 1605  1609     1 
+ 1607  1608     1 
+ 1607  1609     1 
+ 1609  1610     1 
+ 1611  1612     1 
+ 1611  1613     1 
+ 1613  1614     1 
+ 1613  1615     1 
+ 1615  1616     1 
+ 1615  1617     1 
+ 1615  1627     1 
+ 1617  1618     1 
+ 1617  1619     1 
+ 1617  1623     1 
+ 1619  1620     1 
+ 1619  1621     1 
+ 1619  1622     1 
+ 1623  1624     1 
+ 1623  1625     1 
+ 1623  1626     1 
+ 1627  1628     1 
+ 1627  1629     1 
+ 1629  1630     1 
+ 1629  1631     1 
+ 1631  1632     1 
+ 1631  1633     1 
+ 1631  1637     1 
+ 1633  1634     1 
+ 1633  1635     1 
+ 1633  1636     1 
+ 1637  1638     1 
+ 1637  1639     1 
+ 1639  1640     1 
+ 1639  1641     1 
+ 1641  1642     1 
+ 1641  1643     1 
+ 1641  1661     1 
+ 1643  1644     1 
+ 1643  1645     1 
+ 1643  1646     1 
+ 1646  1647     1 
+ 1646  1649     1 
+ 1647  1648     1 
+ 1647  1650     1 
+ 1649  1652     1 
+ 1649  1653     1 
+ 1650  1651     1 
+ 1650  1652     1 
+ 1652  1655     1 
+ 1653  1654     1 
+ 1653  1657     1 
+ 1655  1656     1 
+ 1655  1659     1 
+ 1657  1658     1 
+ 1657  1659     1 
+ 1659  1660     1 
+ 1661  1662     1 
+ 1661  1663     1 
+ 1663  1664     1 
+ 1663  1665     1 
+ 1665  1666     1 
+ 1665  1667     1 
+ 1665  1685     1 
+ 1667  1668     1 
+ 1667  1669     1 
+ 1667  1670     1 
+ 1670  1671     1 
+ 1670  1672     1 
+ 1670  1673     1 
+ 1673  1674     1 
+ 1673  1675     1 
+ 1673  1676     1 
+ 1676  1677     1 
+ 1676  1678     1 
+ 1678  1679     1 
+ 1678  1682     1 
+ 1679  1680     1 
+ 1679  1681     1 
+ 1682  1683     1 
+ 1682  1684     1 
+ 1685  1686     1 
+ 1685  1687     1 
+ 1687  1688     1 
+ 1687  1689     1 
+ 1689  1690     1 
+ 1689  1691     1 
+ 1689  1699     1 
+ 1691  1692     1 
+ 1691  1693     1 
+ 1691  1694     1 
+ 1694  1695     1 
+ 1694  1696     1 
+ 1696  1697     1 
+ 1696  1698     1 
+ 1699  1700     1 
+ 1699  1701     1 
+ 1701  1702     1 
+ 1701  1703     1 
+ 1703  1704     1 
+ 1703  1705     1 
+ 1703  1723     1 
+ 1705  1706     1 
+ 1705  1707     1 
+ 1705  1708     1 
+ 1708  1709     1 
+ 1708  1710     1 
+ 1708  1711     1 
+ 1711  1712     1 
+ 1711  1713     1 
+ 1711  1714     1 
+ 1714  1715     1 
+ 1714  1716     1 
+ 1716  1717     1 
+ 1716  1720     1 
+ 1717  1718     1 
+ 1717  1719     1 
+ 1720  1721     1 
+ 1720  1722     1 
+ 1723  1724     1 
+ 1723  1725     1 
+ 1725  1726     1 
+ 1725  1727     1 
+ 1727  1728     1 
+ 1727  1729     1 
+ 1727  1733     1 
+ 1729  1730     1 
+ 1729  1731     1 
+ 1729  1732     1 
+ 1733  1734     1 
+ 1733  1735     1 
+ 1735  1736     1 
+ 1735  1737     1 
+ 1737  1738     1 
+ 1737  1739     1 
+ 1737  1755     1 
+ 1739  1740     1 
+ 1739  1741     1 
+ 1739  1742     1 
+ 1742  1743     1 
+ 1742  1744     1 
+ 1742  1745     1 
+ 1745  1746     1 
+ 1745  1747     1 
+ 1745  1748     1 
+ 1748  1749     1 
+ 1748  1750     1 
+ 1748  1751     1 
+ 1751  1752     1 
+ 1751  1753     1 
+ 1751  1754     1 
+ 1755  1756     1 
+ 1755  1757     1 
+ 1757  1758     1 
+ 1757  1759     1 
+ 1759  1760     1 
+ 1759  1761     1 
+ 1759  1762     1 
+ 1762  1763     1 
+ 1762  1764     1 
+ 1764  1765     1 
+ 1764  1766     1 
+ 1766  1767     1 
+ 1766  1768     1 
+ 1766  1776     1 
+ 1768  1769     1 
+ 1768  1770     1 
+ 1768  1772     1 
+ 1770  1771     1 
+ 1772  1773     1 
+ 1772  1774     1 
+ 1772  1775     1 
+ 1776  1777     1 
+ 1776  1778     1 
+ 1778  1779     1 
+ 1778  1780     1 
+ 1780  1781     1 
+ 1780  1782     1 
+ 1780  1788     1 
+ 1782  1783     1 
+ 1782  1784     1 
+ 1782  1785     1 
+ 1785  1786     1 
+ 1785  1787     1 
+ 1788  1789     1 
+ 1788  1790     1 
+ 1790  1791     1 
+ 1790  1792     1 
+ 1792  1793     1 
+ 1792  1794     1 
+ 1792  1804     1 
+ 1794  1795     1 
+ 1794  1796     1 
+ 1794  1800     1 
+ 1796  1797     1 
+ 1796  1798     1 
+ 1796  1799     1 
+ 1800  1801     1 
+ 1800  1802     1 
+ 1800  1803     1 
+ 1804  1805     1 
+ 1804  1806     1 
+ 1806  1807     1 
+ 1806  1808     1 
+ 1808  1809     1 
+ 1808  1810     1 
+ 1808  1821     1 
+ 1810  1811     1 
+ 1810  1812     1 
+ 1810  1813     1 
+ 1813  1814     1 
+ 1813  1815     1 
+ 1813  1816     1 
+ 1816  1817     1 
+ 1816  1818     1 
+ 1818  1819     1 
+ 1818  1820     1 
+ 1821  1822     1 
+ 1821  1823     1 
+ 1823  1824     1 
+ 1823  1825     1 
+ 1825  1826     1 
+ 1825  1827     1 
+ 1825  1831     1 
+ 1827  1828     1 
+ 1827  1829     1 
+ 1827  1830     1 
+ 1831  1832     1 
+ 1831  1833     1 
+ 1833  1834     1 
+ 1833  1835     1 
+ 1835  1836     1 
+ 1835  1837     1 
+ 1835  1855     1 
+ 1837  1838     1 
+ 1837  1839     1 
+ 1837  1840     1 
+ 1840  1841     1 
+ 1840  1843     1 
+ 1841  1842     1 
+ 1841  1844     1 
+ 1843  1846     1 
+ 1843  1847     1 
+ 1844  1845     1 
+ 1844  1846     1 
+ 1846  1849     1 
+ 1847  1848     1 
+ 1847  1851     1 
+ 1849  1850     1 
+ 1849  1853     1 
+ 1851  1852     1 
+ 1851  1853     1 
+ 1853  1854     1 
+ 1855  1856     1 
+ 1855  1857     1 
+ 1857  1858     1 
+ 1857  1859     1 
+ 1859  1860     1 
+ 1859  1861     1 
+ 1859  1874     1 
+ 1861  1862     1 
+ 1861  1863     1 
+ 1861  1866     1 
+ 1863  1864     1 
+ 1863  1865     1 
+ 1863  1870     1 
+ 1866  1867     1 
+ 1866  1868     1 
+ 1866  1869     1 
+ 1870  1871     1 
+ 1870  1872     1 
+ 1870  1873     1 
+ 1874  1875     1 
+ 1874  1876     1 
+ 1876  1877     1 
+ 1876  1878     1 
+ 1878  1879     1 
+ 1878  1880     1 
+ 1878  1898     1 
+ 1880  1881     1 
+ 1880  1882     1 
+ 1880  1883     1 
+ 1883  1884     1 
+ 1883  1885     1 
+ 1883  1886     1 
+ 1886  1887     1 
+ 1886  1888     1 
+ 1886  1889     1 
+ 1889  1890     1 
+ 1889  1891     1 
+ 1891  1892     1 
+ 1891  1895     1 
+ 1892  1893     1 
+ 1892  1894     1 
+ 1895  1896     1 
+ 1895  1897     1 
+ 1898  1899     1 
+ 1898  1900     1 
+ 1900  1901     1 
+ 1900  1902     1 
+ 1902  1903     1 
+ 1902  1904     1 
+ 1902  1905     1 
+ 1905  1906     1 
+ 1905  1907     1 
+ 1907  1908     1 
+ 1907  1909     1 
+ 1909  1910     1 
+ 1909  1911     1 
+ 1909  1915     1 
+ 1911  1912     1 
+ 1911  1913     1 
+ 1911  1914     1 
+ 1915  1916     1 
+ 1915  1917     1 
+ 1917  1918     1 
+ 1917  1919     1 
+ 1919  1920     1 
+ 1919  1921     1 
+ 1919  1939     1 
+ 1921  1922     1 
+ 1921  1923     1 
+ 1921  1924     1 
+ 1924  1925     1 
+ 1924  1926     1 
+ 1924  1927     1 
+ 1927  1928     1 
+ 1927  1929     1 
+ 1927  1930     1 
+ 1930  1931     1 
+ 1930  1932     1 
+ 1932  1933     1 
+ 1932  1936     1 
+ 1933  1934     1 
+ 1933  1935     1 
+ 1936  1937     1 
+ 1936  1938     1 
+ 1939  1940     1 
+ 1939  1941     1 
+ 1941  1942     1 
+ 1941  1943     1 
+ 1943  1944     1 
+ 1943  1945     1 
+ 1943  1958     1 
+ 1945  1946     1 
+ 1945  1947     1 
+ 1945  1948     1 
+ 1948  1949     1 
+ 1948  1950     1 
+ 1948  1954     1 
+ 1950  1951     1 
+ 1950  1952     1 
+ 1950  1953     1 
+ 1954  1955     1 
+ 1954  1956     1 
+ 1954  1957     1 
+ 1958  1959     1 
+ 1958  1960     1 
+
+[ pairs ]
+;  ai    aj funct            c0            c1            c2            c3
+    1     8     1 
+    1     9     1 
+    1    10     1 
+    1    24     1 
+    1    25     1 
+    2     6     1 
+    2     7     1 
+    2    23     1 
+    3     6     1 
+    3     7     1 
+    3    23     1 
+    4     6     1 
+    4     7     1 
+    4    23     1 
+    5    11     1 
+    5    12     1 
+    5    13     1 
+    5    26     1 
+    5    27     1 
+    6     8     1 
+    6     9     1 
+    6    10     1 
+    6    24     1 
+    6    25     1 
+    7    14     1 
+    7    15     1 
+    7    16     1 
+    7    24     1 
+    7    25     1 
+    8    11     1 
+    8    12     1 
+    8    13     1 
+    8    23     1 
+    9    11     1 
+    9    12     1 
+    9    13     1 
+    9    23     1 
+   10    17     1 
+   10    18     1 
+   10    19     1 
+   10    23     1 
+   11    14     1 
+   11    15     1 
+   11    16     1 
+   12    14     1 
+   12    15     1 
+   12    16     1 
+   13    20     1 
+   13    21     1 
+   13    22     1 
+   14    17     1 
+   14    18     1 
+   14    19     1 
+   15    17     1 
+   15    18     1 
+   15    19     1 
+   17    20     1 
+   17    21     1 
+   17    22     1 
+   18    20     1 
+   18    21     1 
+   18    22     1 
+   23    28     1 
+   23    29     1 
+   23    39     1 
+   24    26     1 
+   24    27     1 
+   25    30     1 
+   25    31     1 
+   25    35     1 
+   25    40     1 
+   25    41     1 
+   26    28     1 
+   26    29     1 
+   26    39     1 
+   27    32     1 
+   27    33     1 
+   27    34     1 
+   27    36     1 
+   27    37     1 
+   27    38     1 
+   27    42     1 
+   27    43     1 
+   28    30     1 
+   28    31     1 
+   28    35     1 
+   28    40     1 
+   28    41     1 
+   29    40     1 
+   29    41     1 
+   30    32     1 
+   30    33     1 
+   30    34     1 
+   30    36     1 
+   30    37     1 
+   30    38     1 
+   30    39     1 
+   31    36     1 
+   31    37     1 
+   31    38     1 
+   31    39     1 
+   32    35     1 
+   33    35     1 
+   34    35     1 
+   35    39     1 
+   39    44     1 
+   39    45     1 
+   39    59     1 
+   40    42     1 
+   40    43     1 
+   41    46     1 
+   41    47     1 
+   41    48     1 
+   41    60     1 
+   41    61     1 
+   42    44     1 
+   42    45     1 
+   42    59     1 
+   43    49     1 
+   43    51     1 
+   43    62     1 
+   43    63     1 
+   44    46     1 
+   44    47     1 
+   44    48     1 
+   44    60     1 
+   44    61     1 
+   45    50     1 
+   45    52     1 
+   45    53     1 
+   45    55     1 
+   45    60     1 
+   45    61     1 
+   46    49     1 
+   46    51     1 
+   46    59     1 
+   47    49     1 
+   47    51     1 
+   47    59     1 
+   48    54     1 
+   48    56     1 
+   48    57     1 
+   48    59     1 
+   49    52     1 
+   49    55     1 
+   49    58     1 
+   50    51     1 
+   50    54     1 
+   50    57     1 
+   51    53     1 
+   51    58     1 
+   52    56     1 
+   52    57     1 
+   53    56     1 
+   54    55     1 
+   54    58     1 
+   56    58     1 
+   59    64     1 
+   59    65     1 
+   59    66     1 
+   60    62     1 
+   60    63     1 
+   61    67     1 
+   61    68     1 
+   62    64     1 
+   62    65     1 
+   62    66     1 
+   63    69     1 
+   63    70     1 
+   64    67     1 
+   64    68     1 
+   65    67     1 
+   65    68     1 
+   66    71     1 
+   66    72     1 
+   66    90     1 
+   67    69     1 
+   67    70     1 
+   68    73     1 
+   68    74     1 
+   68    75     1 
+   68    91     1 
+   68    92     1 
+   69    71     1 
+   69    72     1 
+   69    90     1 
+   70    76     1 
+   70    77     1 
+   70    78     1 
+   70    93     1 
+   70    94     1 
+   71    73     1 
+   71    74     1 
+   71    75     1 
+   71    91     1 
+   71    92     1 
+   72    79     1 
+   72    80     1 
+   72    81     1 
+   72    91     1 
+   72    92     1 
+   73    76     1 
+   73    77     1 
+   73    78     1 
+   73    90     1 
+   74    76     1 
+   74    77     1 
+   74    78     1 
+   74    90     1 
+   75    82     1 
+   75    83     1 
+   75    90     1 
+   76    79     1 
+   76    80     1 
+   76    81     1 
+   77    79     1 
+   77    80     1 
+   77    81     1 
+   78    84     1 
+   78    87     1 
+   79    82     1 
+   79    83     1 
+   80    82     1 
+   80    83     1 
+   81    85     1 
+   81    86     1 
+   81    88     1 
+   81    89     1 
+   82    84     1 
+   82    87     1 
+   84    88     1 
+   84    89     1 
+   85    87     1 
+   86    87     1 
+   90    95     1 
+   90    96     1 
+   90   100     1 
+   91    93     1 
+   91    94     1 
+   92    97     1 
+   92    98     1 
+   92    99     1 
+   92   101     1 
+   92   102     1 
+   93    95     1 
+   93    96     1 
+   93   100     1 
+   94   103     1 
+   94   104     1 
+   94  1914     1 
+   95    97     1 
+   95    98     1 
+   95    99     1 
+   95   101     1 
+   95   102     1 
+   96   101     1 
+   96   102     1 
+   96  1911     1 
+   97   100     1 
+   97  1914     1 
+   98   100     1 
+   98  1914     1 
+   99   100     1 
+   99  1909     1 
+   99  1912     1 
+   99  1913     1 
+  100   105     1 
+  100   106     1 
+  100   115     1 
+  101   103     1 
+  101   104     1 
+  102   107     1 
+  102   108     1 
+  102   109     1 
+  102   116     1 
+  102   117     1 
+  103   105     1 
+  103   106     1 
+  103   115     1 
+  104   110     1 
+  104   111     1 
+  104   112     1 
+  104   118     1 
+  104   119     1 
+  105   107     1 
+  105   108     1 
+  105   109     1 
+  105   116     1 
+  105   117     1 
+  106   113     1 
+  106   114     1 
+  106   116     1 
+  106   117     1 
+  107   110     1 
+  107   111     1 
+  107   112     1 
+  107   115     1 
+  108   110     1 
+  108   111     1 
+  108   112     1 
+  108   115     1 
+  109   115     1 
+  110   113     1 
+  110   114     1 
+  111   113     1 
+  111   114     1 
+  115   120     1 
+  115   121     1 
+  115   134     1 
+  116   118     1 
+  116   119     1 
+  117   122     1 
+  117   123     1 
+  117   124     1 
+  117   135     1 
+  117   136     1 
+  118   120     1 
+  118   121     1 
+  118   134     1 
+  119   125     1 
+  119   126     1 
+  119   130     1 
+  119   137     1 
+  119   138     1 
+  120   122     1 
+  120   123     1 
+  120   124     1 
+  120   135     1 
+  120   136     1 
+  121   127     1 
+  121   128     1 
+  121   129     1 
+  121   131     1 
+  121   132     1 
+  121   133     1 
+  121   135     1 
+  121   136     1 
+  122   125     1 
+  122   126     1 
+  122   130     1 
+  122   134     1 
+  123   125     1 
+  123   126     1 
+  123   130     1 
+  123   134     1 
+  124   134     1 
+  125   127     1 
+  125   128     1 
+  125   129     1 
+  125   131     1 
+  125   132     1 
+  125   133     1 
+  126   131     1 
+  126   132     1 
+  126   133     1 
+  127   130     1 
+  128   130     1 
+  129   130     1 
+  134   139     1 
+  134   140     1 
+  134   144     1 
+  135   137     1 
+  135   138     1 
+  136   141     1 
+  136   142     1 
+  136   143     1 
+  136   145     1 
+  136   146     1 
+  137   139     1 
+  137   140     1 
+  137   144     1 
+  138   147     1 
+  138   148     1 
+  139   141     1 
+  139   142     1 
+  139   143     1 
+  139   145     1 
+  139   146     1 
+  140   145     1 
+  140   146     1 
+  141   144     1 
+  142   144     1 
+  143   144     1 
+  144   149     1 
+  144   150     1 
+  144   154     1 
+  145   147     1 
+  145   148     1 
+  146   151     1 
+  146   152     1 
+  146   153     1 
+  146   155     1 
+  146   156     1 
+  147   149     1 
+  147   150     1 
+  147   154     1 
+  148   157     1 
+  148   158     1 
+  149   151     1 
+  149   152     1 
+  149   153     1 
+  149   155     1 
+  149   156     1 
+  150   155     1 
+  150   156     1 
+  151   154     1 
+  152   154     1 
+  153   154     1 
+  154   159     1 
+  154   160     1 
+  154   164     1 
+  155   157     1 
+  155   158     1 
+  156   161     1 
+  156   162     1 
+  156   163     1 
+  156   165     1 
+  156   166     1 
+  157   159     1 
+  157   160     1 
+  157   164     1 
+  158   167     1 
+  158   168     1 
+  159   161     1 
+  159   162     1 
+  159   163     1 
+  159   165     1 
+  159   166     1 
+  160   165     1 
+  160   166     1 
+  161   164     1 
+  162   164     1 
+  163   164     1 
+  164   169     1 
+  164   170     1 
+  164   181     1 
+  165   167     1 
+  165   168     1 
+  166   171     1 
+  166   172     1 
+  166   173     1 
+  166   182     1 
+  166   183     1 
+  167   169     1 
+  167   170     1 
+  167   181     1 
+  168   174     1 
+  168   175     1 
+  168   176     1 
+  168   184     1 
+  168   185     1 
+  169   171     1 
+  169   172     1 
+  169   173     1 
+  169   182     1 
+  169   183     1 
+  170   177     1 
+  170   182     1 
+  170   183     1 
+  171   174     1 
+  171   175     1 
+  171   176     1 
+  171   181     1 
+  172   174     1 
+  172   175     1 
+  172   176     1 
+  172   181     1 
+  173   178     1 
+  173   179     1 
+  173   180     1 
+  173   181     1 
+  174   177     1 
+  175   177     1 
+  181   186     1 
+  181   187     1 
+  181   203     1 
+  182   184     1 
+  182   185     1 
+  183   188     1 
+  183   189     1 
+  183   190     1 
+  183   204     1 
+  183   205     1 
+  184   186     1 
+  184   187     1 
+  184   203     1 
+  185   191     1 
+  185   192     1 
+  185   193     1 
+  185   206     1 
+  185   207     1 
+  186   188     1 
+  186   189     1 
+  186   190     1 
+  186   204     1 
+  186   205     1 
+  187   194     1 
+  187   195     1 
+  187   196     1 
+  187   204     1 
+  187   205     1 
+  188   191     1 
+  188   192     1 
+  188   193     1 
+  188   203     1 
+  189   191     1 
+  189   192     1 
+  189   193     1 
+  189   203     1 
+  190   197     1 
+  190   198     1 
+  190   199     1 
+  190   203     1 
+  191   194     1 
+  191   195     1 
+  191   196     1 
+  192   194     1 
+  192   195     1 
+  192   196     1 
+  193   200     1 
+  193   201     1 
+  193   202     1 
+  194   197     1 
+  194   198     1 
+  194   199     1 
+  195   197     1 
+  195   198     1 
+  195   199     1 
+  197   200     1 
+  197   201     1 
+  197   202     1 
+  198   200     1 
+  198   201     1 
+  198   202     1 
+  203   208     1 
+  203   209     1 
+  203   227     1 
+  204   206     1 
+  204   207     1 
+  205   210     1 
+  205   211     1 
+  205   212     1 
+  205   228     1 
+  205   229     1 
+  206   208     1 
+  206   209     1 
+  206   227     1 
+  207   213     1 
+  207   214     1 
+  207   215     1 
+  207   230     1 
+  207   231     1 
+  208   210     1 
+  208   211     1 
+  208   212     1 
+  208   228     1 
+  208   229     1 
+  209   216     1 
+  209   217     1 
+  209   218     1 
+  209   228     1 
+  209   229     1 
+  210   213     1 
+  210   214     1 
+  210   215     1 
+  210   227     1 
+  211   213     1 
+  211   214     1 
+  211   215     1 
+  211   227     1 
+  212   219     1 
+  212   220     1 
+  212   227     1 
+  213   216     1 
+  213   217     1 
+  213   218     1 
+  214   216     1 
+  214   217     1 
+  214   218     1 
+  215   221     1 
+  215   224     1 
+  216   219     1 
+  216   220     1 
+  217   219     1 
+  217   220     1 
+  218   222     1 
+  218   223     1 
+  218   225     1 
+  218   226     1 
+  219   221     1 
+  219   224     1 
+  221   225     1 
+  221   226     1 
+  222   224     1 
+  223   224     1 
+  227   232     1 
+  227   233     1 
+  227   244     1 
+  228   230     1 
+  228   231     1 
+  229   234     1 
+  229   235     1 
+  229   236     1 
+  229   245     1 
+  229   246     1 
+  230   232     1 
+  230   233     1 
+  230   244     1 
+  231   237     1 
+  231   238     1 
+  231   247     1 
+  231   248     1 
+  232   234     1 
+  232   235     1 
+  232   236     1 
+  232   245     1 
+  232   246     1 
+  233   239     1 
+  233   240     1 
+  233   242     1 
+  233   245     1 
+  233   246     1 
+  234   237     1 
+  234   238     1 
+  234   244     1 
+  235   237     1 
+  235   238     1 
+  235   244     1 
+  236   241     1 
+  236   243     1 
+  236   244     1 
+  237   239     1 
+  237   243     1 
+  238   241     1 
+  239   240     1 
+  239   243     1 
+  241   243     1 
+  244   249     1 
+  244   250     1 
+  244   251     1 
+  245   247     1 
+  245   248     1 
+  246   252     1 
+  246   253     1 
+  247   249     1 
+  247   250     1 
+  247   251     1 
+  248   254     1 
+  248   255     1 
+  249   252     1 
+  249   253     1 
+  250   252     1 
+  250   253     1 
+  251   256     1 
+  251   257     1 
+  251   270     1 
+  252   254     1 
+  252   255     1 
+  253   258     1 
+  253   259     1 
+  253   260     1 
+  253   271     1 
+  253   272     1 
+  254   256     1 
+  254   257     1 
+  254   270     1 
+  255   261     1 
+  255   262     1 
+  255   266     1 
+  255   273     1 
+  255   274     1 
+  256   258     1 
+  256   259     1 
+  256   260     1 
+  256   271     1 
+  256   272     1 
+  257   263     1 
+  257   264     1 
+  257   265     1 
+  257   267     1 
+  257   268     1 
+  257   269     1 
+  257   271     1 
+  257   272     1 
+  258   261     1 
+  258   262     1 
+  258   266     1 
+  258   270     1 
+  259   261     1 
+  259   262     1 
+  259   266     1 
+  259   270     1 
+  260   270     1 
+  261   263     1 
+  261   264     1 
+  261   265     1 
+  261   267     1 
+  261   268     1 
+  261   269     1 
+  262   267     1 
+  262   268     1 
+  262   269     1 
+  263   266     1 
+  264   266     1 
+  265   266     1 
+  270   275     1 
+  270   276     1 
+  270   282     1 
+  271   273     1 
+  271   274     1 
+  272   277     1 
+  272   278     1 
+  272   279     1 
+  272   283     1 
+  272   284     1 
+  273   275     1 
+  273   276     1 
+  273   282     1 
+  274   280     1 
+  274   281     1 
+  274   285     1 
+  274   286     1 
+  275   277     1 
+  275   278     1 
+  275   279     1 
+  275   283     1 
+  275   284     1 
+  276   283     1 
+  276   284     1 
+  277   280     1 
+  277   281     1 
+  277   282     1 
+  278   280     1 
+  278   281     1 
+  278   282     1 
+  279   282     1 
+  282   287     1 
+  282   288     1 
+  282   296     1 
+  283   285     1 
+  283   286     1 
+  284   289     1 
+  284   290     1 
+  284   291     1 
+  284   297     1 
+  284   298     1 
+  285   287     1 
+  285   288     1 
+  285   296     1 
+  286   292     1 
+  286   293     1 
+  286   299     1 
+  286   300     1 
+  287   289     1 
+  287   290     1 
+  287   291     1 
+  287   297     1 
+  287   298     1 
+  288   294     1 
+  288   295     1 
+  288   297     1 
+  288   298     1 
+  289   292     1 
+  289   293     1 
+  289   296     1 
+  290   292     1 
+  290   293     1 
+  290   296     1 
+  291   296     1 
+  292   294     1 
+  292   295     1 
+  296   301     1 
+  296   302     1 
+  296   317     1 
+  297   299     1 
+  297   300     1 
+  298   303     1 
+  298   304     1 
+  298   305     1 
+  298   318     1 
+  298   319     1 
+  299   301     1 
+  299   302     1 
+  299   317     1 
+  300   306     1 
+  300   308     1 
+  300   320     1 
+  300   321     1 
+  301   303     1 
+  301   304     1 
+  301   305     1 
+  301   318     1 
+  301   319     1 
+  302   307     1 
+  302   309     1 
+  302   310     1 
+  302   312     1 
+  302   318     1 
+  302   319     1 
+  303   306     1 
+  303   308     1 
+  303   317     1 
+  304   306     1 
+  304   308     1 
+  304   317     1 
+  305   311     1 
+  305   313     1 
+  305   314     1 
+  305   317     1 
+  306   309     1 
+  306   312     1 
+  306   315     1 
+  307   308     1 
+  307   311     1 
+  307   314     1 
+  308   310     1 
+  308   315     1 
+  309   313     1 
+  309   314     1 
+  310   313     1 
+  310   316     1 
+  311   312     1 
+  311   315     1 
+  312   316     1 
+  313   315     1 
+  317   322     1 
+  317   323     1 
+  317   341     1 
+  318   320     1 
+  318   321     1 
+  319   324     1 
+  319   325     1 
+  319   326     1 
+  319   342     1 
+  319   343     1 
+  320   322     1 
+  320   323     1 
+  320   341     1 
+  321   327     1 
+  321   328     1 
+  321   329     1 
+  321   344     1 
+  321   345     1 
+  322   324     1 
+  322   325     1 
+  322   326     1 
+  322   342     1 
+  322   343     1 
+  323   330     1 
+  323   331     1 
+  323   332     1 
+  323   342     1 
+  323   343     1 
+  324   327     1 
+  324   328     1 
+  324   329     1 
+  324   341     1 
+  325   327     1 
+  325   328     1 
+  325   329     1 
+  325   341     1 
+  326   333     1 
+  326   334     1 
+  326   341     1 
+  327   330     1 
+  327   331     1 
+  327   332     1 
+  328   330     1 
+  328   331     1 
+  328   332     1 
+  329   335     1 
+  329   338     1 
+  330   333     1 
+  330   334     1 
+  331   333     1 
+  331   334     1 
+  332   336     1 
+  332   337     1 
+  332   339     1 
+  332   340     1 
+  333   335     1 
+  333   338     1 
+  335   339     1 
+  335   340     1 
+  336   338     1 
+  337   338     1 
+  341   346     1 
+  341   347     1 
+  341   348     1 
+  342   344     1 
+  342   345     1 
+  343   349     1 
+  343   350     1 
+  344   346     1 
+  344   347     1 
+  344   348     1 
+  345   351     1 
+  345   352     1 
+  346   349     1 
+  346   350     1 
+  347   349     1 
+  347   350     1 
+  348   353     1 
+  348   354     1 
+  348   369     1 
+  349   351     1 
+  349   352     1 
+  350   355     1 
+  350   356     1 
+  350   357     1 
+  350   370     1 
+  350   371     1 
+  351   353     1 
+  351   354     1 
+  351   369     1 
+  352   358     1 
+  352   360     1 
+  352   372     1 
+  352   373     1 
+  353   355     1 
+  353   356     1 
+  353   357     1 
+  353   370     1 
+  353   371     1 
+  354   359     1 
+  354   361     1 
+  354   362     1 
+  354   364     1 
+  354   370     1 
+  354   371     1 
+  355   358     1 
+  355   360     1 
+  355   369     1 
+  356   358     1 
+  356   360     1 
+  356   369     1 
+  357   363     1 
+  357   365     1 
+  357   366     1 
+  357   369     1 
+  358   361     1 
+  358   364     1 
+  358   367     1 
+  359   360     1 
+  359   363     1 
+  359   366     1 
+  360   362     1 
+  360   367     1 
+  361   365     1 
+  361   366     1 
+  362   365     1 
+  362   368     1 
+  363   364     1 
+  363   367     1 
+  364   368     1 
+  365   367     1 
+  369   374     1 
+  369   375     1 
+  369   380     1 
+  370   372     1 
+  370   373     1 
+  371   376     1 
+  371   377     1 
+  371   378     1 
+  371   381     1 
+  371   382     1 
+  372   374     1 
+  372   375     1 
+  372   380     1 
+  373   379     1 
+  373   383     1 
+  373   384     1 
+  374   376     1 
+  374   377     1 
+  374   378     1 
+  374   381     1 
+  374   382     1 
+  375   381     1 
+  375   382     1 
+  376   379     1 
+  376   380     1 
+  377   379     1 
+  377   380     1 
+  378   380     1 
+  380   385     1 
+  380   386     1 
+  380   399     1 
+  381   383     1 
+  381   384     1 
+  382   387     1 
+  382   388     1 
+  382   389     1 
+  382   400     1 
+  382   401     1 
+  383   385     1 
+  383   386     1 
+  383   399     1 
+  384   390     1 
+  384   391     1 
+  384   395     1 
+  384   402     1 
+  384   403     1 
+  385   387     1 
+  385   388     1 
+  385   389     1 
+  385   400     1 
+  385   401     1 
+  386   392     1 
+  386   393     1 
+  386   394     1 
+  386   396     1 
+  386   397     1 
+  386   398     1 
+  386   400     1 
+  386   401     1 
+  387   390     1 
+  387   391     1 
+  387   395     1 
+  387   399     1 
+  388   390     1 
+  388   391     1 
+  388   395     1 
+  388   399     1 
+  389   399     1 
+  390   392     1 
+  390   393     1 
+  390   394     1 
+  390   396     1 
+  390   397     1 
+  390   398     1 
+  391   396     1 
+  391   397     1 
+  391   398     1 
+  392   395     1 
+  393   395     1 
+  394   395     1 
+  399   404     1 
+  399   405     1 
+  399   406     1 
+  400   402     1 
+  400   403     1 
+  401   407     1 
+  401   408     1 
+  402   404     1 
+  402   405     1 
+  402   406     1 
+  403   409     1 
+  403   410     1 
+  404   407     1 
+  404   408     1 
+  405   407     1 
+  405   408     1 
+  406   411     1 
+  406   412     1 
+  406   420     1 
+  407   409     1 
+  407   410     1 
+  408   413     1 
+  408   414     1 
+  408   415     1 
+  408   421     1 
+  408   422     1 
+  409   411     1 
+  409   412     1 
+  409   420     1 
+  410   416     1 
+  410   417     1 
+  410   423     1 
+  410   424     1 
+  411   413     1 
+  411   414     1 
+  411   415     1 
+  411   421     1 
+  411   422     1 
+  412   418     1 
+  412   419     1 
+  412   421     1 
+  412   422     1 
+  413   416     1 
+  413   417     1 
+  413   420     1 
+  414   416     1 
+  414   417     1 
+  414   420     1 
+  415   420     1 
+  416   418     1 
+  416   419     1 
+  420   425     1 
+  420   426     1 
+  420   444     1 
+  421   423     1 
+  421   424     1 
+  422   427     1 
+  422   428     1 
+  422   429     1 
+  422   445     1 
+  422   446     1 
+  423   425     1 
+  423   426     1 
+  423   444     1 
+  424   430     1 
+  424   432     1 
+  424   447     1 
+  424   448     1 
+  425   427     1 
+  425   428     1 
+  425   429     1 
+  425   445     1 
+  425   446     1 
+  426   431     1 
+  426   433     1 
+  426   435     1 
+  426   436     1 
+  426   445     1 
+  426   446     1 
+  427   430     1 
+  427   432     1 
+  427   444     1 
+  428   430     1 
+  428   432     1 
+  428   444     1 
+  429   434     1 
+  429   437     1 
+  429   438     1 
+  429   440     1 
+  429   444     1 
+  430   436     1 
+  430   438     1 
+  431   432     1 
+  431   434     1 
+  431   435     1 
+  432   434     1 
+  432   439     1 
+  432   441     1 
+  432   442     1 
+  433   436     1 
+  433   439     1 
+  433   442     1 
+  434   438     1 
+  435   437     1 
+  435   440     1 
+  435   443     1 
+  436   438     1 
+  436   443     1 
+  437   441     1 
+  437   442     1 
+  438   441     1 
+  439   440     1 
+  439   443     1 
+  441   443     1 
+  444   449     1 
+  444   450     1 
+  444   460     1 
+  445   447     1 
+  445   448     1 
+  446   451     1 
+  446   452     1 
+  446   456     1 
+  446   461     1 
+  446   462     1 
+  447   449     1 
+  447   450     1 
+  447   460     1 
+  448   453     1 
+  448   454     1 
+  448   455     1 
+  448   457     1 
+  448   458     1 
+  448   459     1 
+  448   463     1 
+  448   464     1 
+  449   451     1 
+  449   452     1 
+  449   456     1 
+  449   461     1 
+  449   462     1 
+  450   461     1 
+  450   462     1 
+  451   453     1 
+  451   454     1 
+  451   455     1 
+  451   457     1 
+  451   458     1 
+  451   459     1 
+  451   460     1 
+  452   457     1 
+  452   458     1 
+  452   459     1 
+  452   460     1 
+  453   456     1 
+  454   456     1 
+  455   456     1 
+  456   460     1 
+  460   465     1 
+  460   466     1 
+  460   470     1 
+  461   463     1 
+  461   464     1 
+  462   467     1 
+  462   468     1 
+  462   469     1 
+  462   471     1 
+  462   472     1 
+  463   465     1 
+  463   466     1 
+  463   470     1 
+  464   473     1 
+  464   474     1 
+  464  1732     1 
+  465   467     1 
+  465   468     1 
+  465   469     1 
+  465   471     1 
+  465   472     1 
+  466   471     1 
+  466   472     1 
+  466  1729     1 
+  467   470     1 
+  467  1732     1 
+  468   470     1 
+  468  1732     1 
+  469   470     1 
+  469  1727     1 
+  469  1730     1 
+  469  1731     1 
+  470   475     1 
+  470   476     1 
+  470   480     1 
+  471   473     1 
+  471   474     1 
+  472   477     1 
+  472   478     1 
+  472   479     1 
+  472   481     1 
+  472   482     1 
+  473   475     1 
+  473   476     1 
+  473   480     1 
+  474   483     1 
+  474   484     1 
+  475   477     1 
+  475   478     1 
+  475   479     1 
+  475   481     1 
+  475   482     1 
+  476   481     1 
+  476   482     1 
+  477   480     1 
+  478   480     1 
+  479   480     1 
+  480   485     1 
+  480   486     1 
+  480   490     1 
+  481   483     1 
+  481   484     1 
+  482   487     1 
+  482   488     1 
+  482   489     1 
+  482   491     1 
+  482   492     1 
+  483   485     1 
+  483   486     1 
+  483   490     1 
+  484   493     1 
+  484   494     1 
+  485   487     1 
+  485   488     1 
+  485   489     1 
+  485   491     1 
+  485   492     1 
+  486   491     1 
+  486   492     1 
+  487   490     1 
+  488   490     1 
+  489   490     1 
+  490   495     1 
+  490   496     1 
+  490   512     1 
+  491   493     1 
+  491   494     1 
+  492   497     1 
+  492   498     1 
+  492   499     1 
+  492   513     1 
+  492   514     1 
+  493   495     1 
+  493   496     1 
+  493   512     1 
+  494   500     1 
+  494   501     1 
+  494   502     1 
+  494   515     1 
+  494   516     1 
+  495   497     1 
+  495   498     1 
+  495   499     1 
+  495   513     1 
+  495   514     1 
+  496   503     1 
+  496   504     1 
+  496   505     1 
+  496   513     1 
+  496   514     1 
+  497   500     1 
+  497   501     1 
+  497   502     1 
+  497   512     1 
+  498   500     1 
+  498   501     1 
+  498   502     1 
+  498   512     1 
+  499   506     1 
+  499   507     1 
+  499   508     1 
+  499   512     1 
+  500   503     1 
+  500   504     1 
+  500   505     1 
+  501   503     1 
+  501   504     1 
+  501   505     1 
+  502   509     1 
+  502   510     1 
+  502   511     1 
+  503   506     1 
+  503   507     1 
+  503   508     1 
+  504   506     1 
+  504   507     1 
+  504   508     1 
+  506   509     1 
+  506   510     1 
+  506   511     1 
+  507   509     1 
+  507   510     1 
+  507   511     1 
+  512   517     1 
+  512   518     1 
+  512   532     1 
+  513   515     1 
+  513   516     1 
+  514   519     1 
+  514   520     1 
+  514   521     1 
+  514   533     1 
+  514   534     1 
+  515   517     1 
+  515   518     1 
+  515   532     1 
+  516   522     1 
+  516   524     1 
+  516   535     1 
+  516   536     1 
+  517   519     1 
+  517   520     1 
+  517   521     1 
+  517   533     1 
+  517   534     1 
+  518   523     1 
+  518   525     1 
+  518   526     1 
+  518   528     1 
+  518   533     1 
+  518   534     1 
+  519   522     1 
+  519   524     1 
+  519   532     1 
+  520   522     1 
+  520   524     1 
+  520   532     1 
+  521   527     1 
+  521   529     1 
+  521   530     1 
+  521   532     1 
+  522   525     1 
+  522   528     1 
+  522   531     1 
+  523   524     1 
+  523   527     1 
+  523   530     1 
+  524   526     1 
+  524   531     1 
+  525   529     1 
+  525   530     1 
+  526   529     1 
+  527   528     1 
+  527   531     1 
+  529   531     1 
+  532   537     1 
+  532   538     1 
+  532   547     1 
+  533   535     1 
+  533   536     1 
+  534   539     1 
+  534   540     1 
+  534   541     1 
+  534   548     1 
+  534   549     1 
+  535   537     1 
+  535   538     1 
+  535   547     1 
+  536   542     1 
+  536   543     1 
+  536   544     1 
+  536   550     1 
+  536   551     1 
+  537   539     1 
+  537   540     1 
+  537   541     1 
+  537   548     1 
+  537   549     1 
+  538   545     1 
+  538   546     1 
+  538   548     1 
+  538   549     1 
+  539   542     1 
+  539   543     1 
+  539   544     1 
+  539   547     1 
+  540   542     1 
+  540   543     1 
+  540   544     1 
+  540   547     1 
+  541   547     1 
+  542   545     1 
+  542   546     1 
+  543   545     1 
+  543   546     1 
+  547   552     1 
+  547   553     1 
+  547   558     1 
+  548   550     1 
+  548   551     1 
+  549   554     1 
+  549   555     1 
+  549   556     1 
+  549   559     1 
+  549   560     1 
+  550   552     1 
+  550   553     1 
+  550   558     1 
+  551   557     1 
+  551   561     1 
+  551   562     1 
+  552   554     1 
+  552   555     1 
+  552   556     1 
+  552   559     1 
+  552   560     1 
+  553   559     1 
+  553   560     1 
+  554   557     1 
+  554   558     1 
+  555   557     1 
+  555   558     1 
+  556   558     1 
+  558   563     1 
+  558   564     1 
+  558   572     1 
+  559   561     1 
+  559   562     1 
+  560   565     1 
+  560   566     1 
+  560   567     1 
+  560   573     1 
+  560   574     1 
+  561   563     1 
+  561   564     1 
+  561   572     1 
+  562   568     1 
+  562   569     1 
+  562   575     1 
+  562   576     1 
+  563   565     1 
+  563   566     1 
+  563   567     1 
+  563   573     1 
+  563   574     1 
+  564   570     1 
+  564   571     1 
+  564   573     1 
+  564   574     1 
+  565   568     1 
+  565   569     1 
+  565   572     1 
+  566   568     1 
+  566   569     1 
+  566   572     1 
+  567   572     1 
+  568   570     1 
+  568   571     1 
+  572   577     1 
+  572   578     1 
+  572   592     1 
+  573   575     1 
+  573   576     1 
+  574   579     1 
+  574   580     1 
+  574   581     1 
+  574   593     1 
+  574   594     1 
+  575   577     1 
+  575   578     1 
+  575   592     1 
+  576   582     1 
+  576   584     1 
+  576   595     1 
+  576   596     1 
+  577   579     1 
+  577   580     1 
+  577   581     1 
+  577   593     1 
+  577   594     1 
+  578   583     1 
+  578   585     1 
+  578   586     1 
+  578   588     1 
+  578   593     1 
+  578   594     1 
+  579   582     1 
+  579   584     1 
+  579   592     1 
+  580   582     1 
+  580   584     1 
+  580   592     1 
+  581   587     1 
+  581   589     1 
+  581   590     1 
+  581   592     1 
+  582   585     1 
+  582   588     1 
+  582   591     1 
+  583   584     1 
+  583   587     1 
+  583   590     1 
+  584   586     1 
+  584   591     1 
+  585   589     1 
+  585   590     1 
+  586   589     1 
+  587   588     1 
+  587   591     1 
+  589   591     1 
+  592   597     1 
+  592   598     1 
+  592   606     1 
+  593   595     1 
+  593   596     1 
+  594   599     1 
+  594   600     1 
+  594   601     1 
+  594   607     1 
+  594   608     1 
+  595   597     1 
+  595   598     1 
+  595   606     1 
+  596   602     1 
+  596   603     1 
+  596   609     1 
+  596   610     1 
+  597   599     1 
+  597   600     1 
+  597   601     1 
+  597   607     1 
+  597   608     1 
+  598   604     1 
+  598   605     1 
+  598   607     1 
+  598   608     1 
+  599   602     1 
+  599   603     1 
+  599   606     1 
+  600   602     1 
+  600   603     1 
+  600   606     1 
+  601   606     1 
+  602   604     1 
+  602   605     1 
+  606   611     1 
+  606   612     1 
+  606   620     1 
+  607   609     1 
+  607   610     1 
+  608   613     1 
+  608   614     1 
+  608   616     1 
+  608   621     1 
+  608   622     1 
+  609   611     1 
+  609   612     1 
+  609   620     1 
+  610   615     1 
+  610   617     1 
+  610   618     1 
+  610   619     1 
+  610   623     1 
+  610   624     1 
+  611   613     1 
+  611   614     1 
+  611   616     1 
+  611   621     1 
+  611   622     1 
+  612   621     1 
+  612   622     1 
+  613   615     1 
+  613   617     1 
+  613   618     1 
+  613   619     1 
+  613   620     1 
+  614   617     1 
+  614   618     1 
+  614   619     1 
+  614   620     1 
+  615   616     1 
+  616   620     1 
+  620   625     1 
+  620   626     1 
+  620   637     1 
+  621   623     1 
+  621   624     1 
+  622   627     1 
+  622   628     1 
+  622   629     1 
+  622   638     1 
+  622   639     1 
+  623   625     1 
+  623   626     1 
+  623   637     1 
+  624   630     1 
+  624   631     1 
+  624   632     1 
+  624   640     1 
+  624   641     1 
+  625   627     1 
+  625   628     1 
+  625   629     1 
+  625   638     1 
+  625   639     1 
+  626   633     1 
+  626   634     1 
+  626   638     1 
+  626   639     1 
+  627   630     1 
+  627   631     1 
+  627   632     1 
+  627   637     1 
+  628   630     1 
+  628   631     1 
+  628   632     1 
+  628   637     1 
+  629   635     1 
+  629   636     1 
+  629   637     1 
+  630   633     1 
+  630   634     1 
+  631   633     1 
+  631   634     1 
+  633   635     1 
+  633   636     1 
+  637   642     1 
+  637   643     1 
+  637   647     1 
+  638   640     1 
+  638   641     1 
+  639   644     1 
+  639   645     1 
+  639   646     1 
+  639   648     1 
+  639   649     1 
+  640   642     1 
+  640   643     1 
+  640   647     1 
+  641   650     1 
+  641   651     1 
+  642   644     1 
+  642   645     1 
+  642   646     1 
+  642   648     1 
+  642   649     1 
+  643   648     1 
+  643   649     1 
+  644   647     1 
+  645   647     1 
+  646   647     1 
+  647   652     1 
+  647   653     1 
+  647   661     1 
+  648   650     1 
+  648   651     1 
+  649   654     1 
+  649   655     1 
+  649   657     1 
+  649   662     1 
+  649   663     1 
+  650   652     1 
+  650   653     1 
+  650   661     1 
+  651   656     1 
+  651   658     1 
+  651   659     1 
+  651   660     1 
+  651   664     1 
+  651   665     1 
+  652   654     1 
+  652   655     1 
+  652   657     1 
+  652   662     1 
+  652   663     1 
+  653   662     1 
+  653   663     1 
+  654   656     1 
+  654   658     1 
+  654   659     1 
+  654   660     1 
+  654   661     1 
+  655   658     1 
+  655   659     1 
+  655   660     1 
+  655   661     1 
+  656   657     1 
+  657   661     1 
+  661   666     1 
+  661   667     1 
+  661   675     1 
+  662   664     1 
+  662   665     1 
+  663   668     1 
+  663   669     1 
+  663   670     1 
+  663   676     1 
+  663   677     1 
+  664   666     1 
+  664   667     1 
+  664   675     1 
+  665   671     1 
+  665   672     1 
+  665   678     1 
+  665   679     1 
+  666   668     1 
+  666   669     1 
+  666   670     1 
+  666   676     1 
+  666   677     1 
+  667   673     1 
+  667   674     1 
+  667   676     1 
+  667   677     1 
+  668   671     1 
+  668   672     1 
+  668   675     1 
+  669   671     1 
+  669   672     1 
+  669   675     1 
+  670   675     1 
+  671   673     1 
+  671   674     1 
+  675   680     1 
+  675   681     1 
+  675   699     1 
+  676   678     1 
+  676   679     1 
+  677   682     1 
+  677   683     1 
+  677   684     1 
+  677   700     1 
+  677   701     1 
+  678   680     1 
+  678   681     1 
+  678   699     1 
+  679   685     1 
+  679   686     1 
+  679   687     1 
+  679   702     1 
+  679   703     1 
+  680   682     1 
+  680   683     1 
+  680   684     1 
+  680   700     1 
+  680   701     1 
+  681   688     1 
+  681   689     1 
+  681   690     1 
+  681   700     1 
+  681   701     1 
+  682   685     1 
+  682   686     1 
+  682   687     1 
+  682   699     1 
+  683   685     1 
+  683   686     1 
+  683   687     1 
+  683   699     1 
+  684   691     1 
+  684   692     1 
+  684   699     1 
+  685   688     1 
+  685   689     1 
+  685   690     1 
+  686   688     1 
+  686   689     1 
+  686   690     1 
+  687   693     1 
+  687   696     1 
+  688   691     1 
+  688   692     1 
+  689   691     1 
+  689   692     1 
+  690   694     1 
+  690   695     1 
+  690   697     1 
+  690   698     1 
+  691   693     1 
+  691   696     1 
+  693   697     1 
+  693   698     1 
+  694   696     1 
+  695   696     1 
+  699   704     1 
+  699   705     1 
+  699   713     1 
+  700   702     1 
+  700   703     1 
+  701   706     1 
+  701   707     1 
+  701   708     1 
+  701   714     1 
+  701   715     1 
+  702   704     1 
+  702   705     1 
+  702   713     1 
+  703   709     1 
+  703   710     1 
+  703   716     1 
+  703   717     1 
+  704   706     1 
+  704   707     1 
+  704   708     1 
+  704   714     1 
+  704   715     1 
+  705   711     1 
+  705   712     1 
+  705   714     1 
+  705   715     1 
+  706   709     1 
+  706   710     1 
+  706   713     1 
+  707   709     1 
+  707   710     1 
+  707   713     1 
+  708   713     1 
+  709   711     1 
+  709   712     1 
+  713   718     1 
+  713   719     1 
+  713   727     1 
+  714   716     1 
+  714   717     1 
+  715   720     1 
+  715   721     1 
+  715   723     1 
+  715   728     1 
+  715   729     1 
+  716   718     1 
+  716   719     1 
+  716   727     1 
+  717   722     1 
+  717   724     1 
+  717   725     1 
+  717   726     1 
+  717   730     1 
+  717   731     1 
+  718   720     1 
+  718   721     1 
+  718   723     1 
+  718   728     1 
+  718   729     1 
+  719   728     1 
+  719   729     1 
+  720   722     1 
+  720   724     1 
+  720   725     1 
+  720   726     1 
+  720   727     1 
+  721   724     1 
+  721   725     1 
+  721   726     1 
+  721   727     1 
+  722   723     1 
+  723   727     1 
+  727   732     1 
+  727   733     1 
+  727   739     1 
+  728   730     1 
+  728   731     1 
+  729   734     1 
+  729   735     1 
+  729   736     1 
+  729   740     1 
+  729   741     1 
+  730   732     1 
+  730   733     1 
+  730   739     1 
+  731   737     1 
+  731   738     1 
+  731   742     1 
+  731   743     1 
+  732   734     1 
+  732   735     1 
+  732   736     1 
+  732   740     1 
+  732   741     1 
+  733   740     1 
+  733   741     1 
+  734   737     1 
+  734   738     1 
+  734   739     1 
+  735   737     1 
+  735   738     1 
+  735   739     1 
+  736   739     1 
+  739   744     1 
+  739   745     1 
+  739   746     1 
+  740   742     1 
+  740   743     1 
+  741   747     1 
+  741   748     1 
+  742   744     1 
+  742   745     1 
+  742   746     1 
+  743   749     1 
+  743   750     1 
+  744   747     1 
+  744   748     1 
+  745   747     1 
+  745   748     1 
+  746   751     1 
+  746   752     1 
+  746   757     1 
+  747   749     1 
+  747   750     1 
+  748   753     1 
+  748   754     1 
+  748   755     1 
+  748   758     1 
+  748   759     1 
+  749   751     1 
+  749   752     1 
+  749   757     1 
+  750   756     1 
+  750   760     1 
+  750   761     1 
+  751   753     1 
+  751   754     1 
+  751   755     1 
+  751   758     1 
+  751   759     1 
+  752   758     1 
+  752   759     1 
+  753   756     1 
+  753   757     1 
+  754   756     1 
+  754   757     1 
+  755   757     1 
+  757   762     1 
+  757   763     1 
+  757   771     1 
+  758   760     1 
+  758   761     1 
+  759   764     1 
+  759   765     1 
+  759   767     1 
+  759   772     1 
+  759   773     1 
+  760   762     1 
+  760   763     1 
+  760   771     1 
+  761   766     1 
+  761   768     1 
+  761   769     1 
+  761   770     1 
+  761   774     1 
+  761   775     1 
+  762   764     1 
+  762   765     1 
+  762   767     1 
+  762   772     1 
+  762   773     1 
+  763   772     1 
+  763   773     1 
+  764   766     1 
+  764   768     1 
+  764   769     1 
+  764   770     1 
+  764   771     1 
+  765   768     1 
+  765   769     1 
+  765   770     1 
+  765   771     1 
+  766   767     1 
+  767   771     1 
+  771   776     1 
+  771   777     1 
+  771   783     1 
+  772   774     1 
+  772   775     1 
+  773   778     1 
+  773   779     1 
+  773   780     1 
+  773   784     1 
+  773   785     1 
+  774   776     1 
+  774   777     1 
+  774   783     1 
+  775   781     1 
+  775   782     1 
+  775   786     1 
+  775   787     1 
+  776   778     1 
+  776   779     1 
+  776   780     1 
+  776   784     1 
+  776   785     1 
+  777   784     1 
+  777   785     1 
+  778   781     1 
+  778   782     1 
+  778   783     1 
+  779   781     1 
+  779   782     1 
+  779   783     1 
+  780   783     1 
+  783   788     1 
+  783   789     1 
+  783   804     1 
+  784   786     1 
+  784   787     1 
+  785   790     1 
+  785   791     1 
+  785   792     1 
+  785   805     1 
+  785   806     1 
+  786   788     1 
+  786   789     1 
+  786   804     1 
+  787   793     1 
+  787   795     1 
+  787   807     1 
+  787   808     1 
+  788   790     1 
+  788   791     1 
+  788   792     1 
+  788   805     1 
+  788   806     1 
+  789   794     1 
+  789   796     1 
+  789   797     1 
+  789   799     1 
+  789   805     1 
+  789   806     1 
+  790   793     1 
+  790   795     1 
+  790   804     1 
+  791   793     1 
+  791   795     1 
+  791   804     1 
+  792   798     1 
+  792   800     1 
+  792   801     1 
+  792   804     1 
+  793   796     1 
+  793   799     1 
+  793   802     1 
+  794   795     1 
+  794   798     1 
+  794   801     1 
+  795   797     1 
+  795   802     1 
+  796   800     1 
+  796   801     1 
+  797   800     1 
+  797   803     1 
+  798   799     1 
+  798   802     1 
+  799   803     1 
+  800   802     1 
+  804   809     1 
+  804   810     1 
+  804   811     1 
+  805   807     1 
+  805   808     1 
+  806   812     1 
+  806   813     1 
+  807   809     1 
+  807   810     1 
+  807   811     1 
+  808   814     1 
+  808   815     1 
+  809   812     1 
+  809   813     1 
+  810   812     1 
+  810   813     1 
+  811   816     1 
+  811   817     1 
+  811   830     1 
+  812   814     1 
+  812   815     1 
+  813   818     1 
+  813   819     1 
+  813   822     1 
+  813   831     1 
+  813   832     1 
+  814   816     1 
+  814   817     1 
+  814   830     1 
+  815   820     1 
+  815   821     1 
+  815   823     1 
+  815   824     1 
+  815   825     1 
+  815   826     1 
+  815   833     1 
+  815   834     1 
+  816   818     1 
+  816   819     1 
+  816   822     1 
+  816   831     1 
+  816   832     1 
+  817   827     1 
+  817   828     1 
+  817   829     1 
+  817   831     1 
+  817   832     1 
+  818   820     1 
+  818   821     1 
+  818   823     1 
+  818   824     1 
+  818   825     1 
+  818   826     1 
+  818   830     1 
+  819   823     1 
+  819   824     1 
+  819   825     1 
+  819   830     1 
+  820   822     1 
+  820   827     1 
+  820   828     1 
+  820   829     1 
+  821   822     1 
+  821   827     1 
+  821   828     1 
+  821   829     1 
+  822   826     1 
+  822   830     1 
+  830   835     1 
+  830   836     1 
+  830   849     1 
+  831   833     1 
+  831   834     1 
+  832   837     1 
+  832   838     1 
+  832   839     1 
+  832   850     1 
+  832   851     1 
+  833   835     1 
+  833   836     1 
+  833   849     1 
+  834   840     1 
+  834   841     1 
+  834   845     1 
+  834   852     1 
+  834   853     1 
+  835   837     1 
+  835   838     1 
+  835   839     1 
+  835   850     1 
+  835   851     1 
+  836   842     1 
+  836   843     1 
+  836   844     1 
+  836   846     1 
+  836   847     1 
+  836   848     1 
+  836   850     1 
+  836   851     1 
+  837   840     1 
+  837   841     1 
+  837   845     1 
+  837   849     1 
+  838   840     1 
+  838   841     1 
+  838   845     1 
+  838   849     1 
+  839   849     1 
+  840   842     1 
+  840   843     1 
+  840   844     1 
+  840   846     1 
+  840   847     1 
+  840   848     1 
+  841   846     1 
+  841   847     1 
+  841   848     1 
+  842   845     1 
+  843   845     1 
+  844   845     1 
+  849   854     1 
+  849   855     1 
+  849   866     1 
+  850   852     1 
+  850   853     1 
+  851   856     1 
+  851   857     1 
+  851   858     1 
+  851   867     1 
+  851   868     1 
+  852   854     1 
+  852   855     1 
+  852   866     1 
+  853   859     1 
+  853   860     1 
+  853   861     1 
+  853   869     1 
+  853   870     1 
+  854   856     1 
+  854   857     1 
+  854   858     1 
+  854   867     1 
+  854   868     1 
+  855   862     1 
+  855   863     1 
+  855   867     1 
+  855   868     1 
+  856   859     1 
+  856   860     1 
+  856   861     1 
+  856   866     1 
+  857   859     1 
+  857   860     1 
+  857   861     1 
+  857   866     1 
+  858   864     1 
+  858   865     1 
+  858   866     1 
+  859   862     1 
+  859   863     1 
+  860   862     1 
+  860   863     1 
+  862   864     1 
+  862   865     1 
+  866   871     1 
+  866   872     1 
+  866   885     1 
+  867   869     1 
+  867   870     1 
+  868   873     1 
+  868   874     1 
+  868   877     1 
+  868   886     1 
+  868   887     1 
+  869   871     1 
+  869   872     1 
+  869   885     1 
+  870   875     1 
+  870   876     1 
+  870   878     1 
+  870   879     1 
+  870   880     1 
+  870   881     1 
+  870   888     1 
+  870   889     1 
+  871   873     1 
+  871   874     1 
+  871   877     1 
+  871   886     1 
+  871   887     1 
+  872   882     1 
+  872   883     1 
+  872   884     1 
+  872   886     1 
+  872   887     1 
+  873   875     1 
+  873   876     1 
+  873   878     1 
+  873   879     1 
+  873   880     1 
+  873   881     1 
+  873   885     1 
+  874   878     1 
+  874   879     1 
+  874   880     1 
+  874   885     1 
+  875   877     1 
+  875   882     1 
+  875   883     1 
+  875   884     1 
+  876   877     1 
+  876   882     1 
+  876   883     1 
+  876   884     1 
+  877   881     1 
+  877   885     1 
+  885   890     1 
+  885   891     1 
+  885   899     1 
+  886   888     1 
+  886   889     1 
+  887   892     1 
+  887   893     1 
+  887   894     1 
+  887   900     1 
+  887   901     1 
+  888   890     1 
+  888   891     1 
+  888   899     1 
+  889   895     1 
+  889   896     1 
+  889   902     1 
+  889   903     1 
+  890   892     1 
+  890   893     1 
+  890   894     1 
+  890   900     1 
+  890   901     1 
+  891   897     1 
+  891   898     1 
+  891   900     1 
+  891   901     1 
+  892   895     1 
+  892   896     1 
+  892   899     1 
+  893   895     1 
+  893   896     1 
+  893   899     1 
+  894   899     1 
+  895   897     1 
+  895   898     1 
+  899   904     1 
+  899   905     1 
+  899   910     1 
+  900   902     1 
+  900   903     1 
+  901   906     1 
+  901   907     1 
+  901   908     1 
+  901   911     1 
+  901   912     1 
+  902   904     1 
+  902   905     1 
+  902   910     1 
+  903   909     1 
+  903   913     1 
+  903   914     1 
+  904   906     1 
+  904   907     1 
+  904   908     1 
+  904   911     1 
+  904   912     1 
+  905   911     1 
+  905   912     1 
+  906   909     1 
+  906   910     1 
+  907   909     1 
+  907   910     1 
+  908   910     1 
+  910   915     1 
+  910   916     1 
+  910   934     1 
+  911   913     1 
+  911   914     1 
+  912   917     1 
+  912   918     1 
+  912   919     1 
+  912   935     1 
+  912   936     1 
+  913   915     1 
+  913   916     1 
+  913   934     1 
+  914   920     1 
+  914   921     1 
+  914   922     1 
+  914   937     1 
+  914   938     1 
+  915   917     1 
+  915   918     1 
+  915   919     1 
+  915   935     1 
+  915   936     1 
+  916   923     1 
+  916   924     1 
+  916   925     1 
+  916   935     1 
+  916   936     1 
+  917   920     1 
+  917   921     1 
+  917   922     1 
+  917   934     1 
+  918   920     1 
+  918   921     1 
+  918   922     1 
+  918   934     1 
+  919   926     1 
+  919   927     1 
+  919   934     1 
+  920   923     1 
+  920   924     1 
+  920   925     1 
+  921   923     1 
+  921   924     1 
+  921   925     1 
+  922   928     1 
+  922   931     1 
+  923   926     1 
+  923   927     1 
+  924   926     1 
+  924   927     1 
+  925   929     1 
+  925   930     1 
+  925   932     1 
+  925   933     1 
+  926   928     1 
+  926   931     1 
+  928   932     1 
+  928   933     1 
+  929   931     1 
+  930   931     1 
+  934   939     1 
+  934   940     1 
+  934   958     1 
+  935   937     1 
+  935   938     1 
+  936   941     1 
+  936   942     1 
+  936   943     1 
+  936   959     1 
+  936   960     1 
+  937   939     1 
+  937   940     1 
+  937   958     1 
+  938   944     1 
+  938   946     1 
+  938   961     1 
+  938   962     1 
+  939   941     1 
+  939   942     1 
+  939   943     1 
+  939   959     1 
+  939   960     1 
+  940   945     1 
+  940   947     1 
+  940   949     1 
+  940   950     1 
+  940   959     1 
+  940   960     1 
+  941   944     1 
+  941   946     1 
+  941   958     1 
+  942   944     1 
+  942   946     1 
+  942   958     1 
+  943   948     1 
+  943   951     1 
+  943   952     1 
+  943   954     1 
+  943   958     1 
+  944   950     1 
+  944   952     1 
+  945   946     1 
+  945   948     1 
+  945   949     1 
+  946   948     1 
+  946   953     1 
+  946   955     1 
+  946   956     1 
+  947   950     1 
+  947   953     1 
+  947   956     1 
+  948   952     1 
+  949   951     1 
+  949   954     1 
+  949   957     1 
+  950   952     1 
+  950   957     1 
+  951   955     1 
+  951   956     1 
+  952   955     1 
+  953   954     1 
+  953   957     1 
+  955   957     1 
+  958   963     1 
+  958   964     1 
+  958   982     1 
+  959   961     1 
+  959   962     1 
+  960   965     1 
+  960   966     1 
+  960   967     1 
+  960   983     1 
+  960   984     1 
+  961   963     1 
+  961   964     1 
+  961   982     1 
+  962   968     1 
+  962   970     1 
+  962   985     1 
+  962   986     1 
+  963   965     1 
+  963   966     1 
+  963   967     1 
+  963   983     1 
+  963   984     1 
+  964   969     1 
+  964   971     1 
+  964   973     1 
+  964   974     1 
+  964   983     1 
+  964   984     1 
+  965   968     1 
+  965   970     1 
+  965   982     1 
+  966   968     1 
+  966   970     1 
+  966   982     1 
+  967   972     1 
+  967   975     1 
+  967   976     1 
+  967   978     1 
+  967   982     1 
+  968   974     1 
+  968   976     1 
+  969   970     1 
+  969   972     1 
+  969   973     1 
+  970   972     1 
+  970   977     1 
+  970   979     1 
+  970   980     1 
+  971   974     1 
+  971   977     1 
+  971   980     1 
+  972   976     1 
+  973   975     1 
+  973   978     1 
+  973   981     1 
+  974   976     1 
+  974   981     1 
+  975   979     1 
+  975   980     1 
+  976   979     1 
+  977   978     1 
+  977   981     1 
+  979   981     1 
+  982   987     1 
+  982   988     1 
+  982   992     1 
+  983   985     1 
+  983   986     1 
+  984   989     1 
+  984   990     1 
+  984   991     1 
+  984   993     1 
+  984   994     1 
+  985   987     1 
+  985   988     1 
+  985   992     1 
+  986   995     1 
+  986   996     1 
+  986  1218     1 
+  987   989     1 
+  987   990     1 
+  987   991     1 
+  987   993     1 
+  987   994     1 
+  988   993     1 
+  988   994     1 
+  988  1215     1 
+  989   992     1 
+  989  1218     1 
+  990   992     1 
+  990  1218     1 
+  991   992     1 
+  991  1213     1 
+  991  1216     1 
+  991  1217     1 
+  992   997     1 
+  992   998     1 
+  992  1006     1 
+  993   995     1 
+  993   996     1 
+  994   999     1 
+  994  1000     1 
+  994  1001     1 
+  994  1007     1 
+  994  1008     1 
+  995   997     1 
+  995   998     1 
+  995  1006     1 
+  996  1002     1 
+  996  1003     1 
+  996  1009     1 
+  996  1010     1 
+  997   999     1 
+  997  1000     1 
+  997  1001     1 
+  997  1007     1 
+  997  1008     1 
+  998  1004     1 
+  998  1005     1 
+  998  1007     1 
+  998  1008     1 
+  999  1002     1 
+  999  1003     1 
+  999  1006     1 
+ 1000  1002     1 
+ 1000  1003     1 
+ 1000  1006     1 
+ 1001  1006     1 
+ 1002  1004     1 
+ 1002  1005     1 
+ 1006  1011     1 
+ 1006  1012     1 
+ 1006  1018     1 
+ 1007  1009     1 
+ 1007  1010     1 
+ 1008  1013     1 
+ 1008  1014     1 
+ 1008  1015     1 
+ 1008  1019     1 
+ 1008  1020     1 
+ 1009  1011     1 
+ 1009  1012     1 
+ 1009  1018     1 
+ 1010  1016     1 
+ 1010  1017     1 
+ 1010  1021     1 
+ 1010  1022     1 
+ 1011  1013     1 
+ 1011  1014     1 
+ 1011  1015     1 
+ 1011  1019     1 
+ 1011  1020     1 
+ 1012  1019     1 
+ 1012  1020     1 
+ 1013  1016     1 
+ 1013  1017     1 
+ 1013  1018     1 
+ 1014  1016     1 
+ 1014  1017     1 
+ 1014  1018     1 
+ 1015  1018     1 
+ 1018  1023     1 
+ 1018  1024     1 
+ 1018  1025     1 
+ 1019  1021     1 
+ 1019  1022     1 
+ 1020  1026     1 
+ 1020  1027     1 
+ 1021  1023     1 
+ 1021  1024     1 
+ 1021  1025     1 
+ 1022  1028     1 
+ 1022  1029     1 
+ 1023  1026     1 
+ 1023  1027     1 
+ 1024  1026     1 
+ 1024  1027     1 
+ 1025  1030     1 
+ 1025  1031     1 
+ 1025  1049     1 
+ 1026  1028     1 
+ 1026  1029     1 
+ 1027  1032     1 
+ 1027  1033     1 
+ 1027  1034     1 
+ 1027  1050     1 
+ 1027  1051     1 
+ 1028  1030     1 
+ 1028  1031     1 
+ 1028  1049     1 
+ 1029  1035     1 
+ 1029  1036     1 
+ 1029  1037     1 
+ 1029  1052     1 
+ 1029  1053     1 
+ 1030  1032     1 
+ 1030  1033     1 
+ 1030  1034     1 
+ 1030  1050     1 
+ 1030  1051     1 
+ 1031  1038     1 
+ 1031  1039     1 
+ 1031  1040     1 
+ 1031  1050     1 
+ 1031  1051     1 
+ 1032  1035     1 
+ 1032  1036     1 
+ 1032  1037     1 
+ 1032  1049     1 
+ 1033  1035     1 
+ 1033  1036     1 
+ 1033  1037     1 
+ 1033  1049     1 
+ 1034  1041     1 
+ 1034  1042     1 
+ 1034  1049     1 
+ 1035  1038     1 
+ 1035  1039     1 
+ 1035  1040     1 
+ 1036  1038     1 
+ 1036  1039     1 
+ 1036  1040     1 
+ 1037  1043     1 
+ 1037  1046     1 
+ 1038  1041     1 
+ 1038  1042     1 
+ 1039  1041     1 
+ 1039  1042     1 
+ 1040  1044     1 
+ 1040  1045     1 
+ 1040  1047     1 
+ 1040  1048     1 
+ 1041  1043     1 
+ 1041  1046     1 
+ 1043  1047     1 
+ 1043  1048     1 
+ 1044  1046     1 
+ 1045  1046     1 
+ 1049  1054     1 
+ 1049  1055     1 
+ 1049  1063     1 
+ 1050  1052     1 
+ 1050  1053     1 
+ 1051  1056     1 
+ 1051  1057     1 
+ 1051  1059     1 
+ 1051  1064     1 
+ 1051  1065     1 
+ 1052  1054     1 
+ 1052  1055     1 
+ 1052  1063     1 
+ 1053  1058     1 
+ 1053  1060     1 
+ 1053  1061     1 
+ 1053  1062     1 
+ 1053  1066     1 
+ 1053  1074     1 
+ 1054  1056     1 
+ 1054  1057     1 
+ 1054  1059     1 
+ 1054  1064     1 
+ 1054  1065     1 
+ 1055  1064     1 
+ 1055  1065     1 
+ 1056  1058     1 
+ 1056  1060     1 
+ 1056  1061     1 
+ 1056  1062     1 
+ 1056  1063     1 
+ 1057  1060     1 
+ 1057  1061     1 
+ 1057  1062     1 
+ 1057  1063     1 
+ 1058  1059     1 
+ 1059  1063     1 
+ 1063  1067     1 
+ 1063  1068     1 
+ 1063  1071     1 
+ 1063  1075     1 
+ 1063  1076     1 
+ 1063  1077     1 
+ 1064  1066     1 
+ 1064  1074     1 
+ 1065  1069     1 
+ 1065  1070     1 
+ 1065  1072     1 
+ 1065  1073     1 
+ 1065  1078     1 
+ 1065  1079     1 
+ 1066  1072     1 
+ 1066  1073     1 
+ 1066  1075     1 
+ 1066  1076     1 
+ 1066  1080     1 
+ 1066  1081     1 
+ 1067  1069     1 
+ 1067  1070     1 
+ 1067  1071     1 
+ 1067  1074     1 
+ 1067  1078     1 
+ 1067  1079     1 
+ 1068  1075     1 
+ 1068  1076     1 
+ 1068  1078     1 
+ 1068  1079     1 
+ 1069  1072     1 
+ 1069  1073     1 
+ 1069  1074     1 
+ 1069  1077     1 
+ 1070  1072     1 
+ 1070  1073     1 
+ 1070  1074     1 
+ 1070  1077     1 
+ 1071  1077     1 
+ 1072  1075     1 
+ 1072  1076     1 
+ 1073  1075     1 
+ 1073  1076     1 
+ 1074  1077     1 
+ 1077  1082     1 
+ 1077  1083     1 
+ 1077  1084     1 
+ 1078  1080     1 
+ 1078  1081     1 
+ 1079  1085     1 
+ 1079  1086     1 
+ 1080  1082     1 
+ 1080  1083     1 
+ 1080  1084     1 
+ 1081  1087     1 
+ 1081  1088     1 
+ 1082  1085     1 
+ 1082  1086     1 
+ 1083  1085     1 
+ 1083  1086     1 
+ 1084  1089     1 
+ 1084  1090     1 
+ 1084  1095     1 
+ 1085  1087     1 
+ 1085  1088     1 
+ 1086  1091     1 
+ 1086  1092     1 
+ 1086  1093     1 
+ 1086  1096     1 
+ 1086  1097     1 
+ 1087  1089     1 
+ 1087  1090     1 
+ 1087  1095     1 
+ 1088  1094     1 
+ 1088  1098     1 
+ 1088  1099     1 
+ 1089  1091     1 
+ 1089  1092     1 
+ 1089  1093     1 
+ 1089  1096     1 
+ 1089  1097     1 
+ 1090  1096     1 
+ 1090  1097     1 
+ 1091  1094     1 
+ 1091  1095     1 
+ 1092  1094     1 
+ 1092  1095     1 
+ 1093  1095     1 
+ 1095  1100     1 
+ 1095  1101     1 
+ 1095  1119     1 
+ 1096  1098     1 
+ 1096  1099     1 
+ 1097  1102     1 
+ 1097  1103     1 
+ 1097  1104     1 
+ 1097  1120     1 
+ 1097  1121     1 
+ 1098  1100     1 
+ 1098  1101     1 
+ 1098  1119     1 
+ 1099  1105     1 
+ 1099  1106     1 
+ 1099  1107     1 
+ 1099  1122     1 
+ 1099  1123     1 
+ 1100  1102     1 
+ 1100  1103     1 
+ 1100  1104     1 
+ 1100  1120     1 
+ 1100  1121     1 
+ 1101  1108     1 
+ 1101  1109     1 
+ 1101  1110     1 
+ 1101  1120     1 
+ 1101  1121     1 
+ 1102  1105     1 
+ 1102  1106     1 
+ 1102  1107     1 
+ 1102  1119     1 
+ 1103  1105     1 
+ 1103  1106     1 
+ 1103  1107     1 
+ 1103  1119     1 
+ 1104  1111     1 
+ 1104  1112     1 
+ 1104  1119     1 
+ 1105  1108     1 
+ 1105  1109     1 
+ 1105  1110     1 
+ 1106  1108     1 
+ 1106  1109     1 
+ 1106  1110     1 
+ 1107  1113     1 
+ 1107  1116     1 
+ 1108  1111     1 
+ 1108  1112     1 
+ 1109  1111     1 
+ 1109  1112     1 
+ 1110  1114     1 
+ 1110  1115     1 
+ 1110  1117     1 
+ 1110  1118     1 
+ 1111  1113     1 
+ 1111  1116     1 
+ 1113  1117     1 
+ 1113  1118     1 
+ 1114  1116     1 
+ 1115  1116     1 
+ 1119  1124     1 
+ 1119  1125     1 
+ 1119  1133     1 
+ 1120  1122     1 
+ 1120  1123     1 
+ 1121  1126     1 
+ 1121  1127     1 
+ 1121  1128     1 
+ 1121  1134     1 
+ 1121  1135     1 
+ 1122  1124     1 
+ 1122  1125     1 
+ 1122  1133     1 
+ 1123  1129     1 
+ 1123  1130     1 
+ 1123  1136     1 
+ 1123  1137     1 
+ 1124  1126     1 
+ 1124  1127     1 
+ 1124  1128     1 
+ 1124  1134     1 
+ 1124  1135     1 
+ 1125  1131     1 
+ 1125  1132     1 
+ 1125  1134     1 
+ 1125  1135     1 
+ 1126  1129     1 
+ 1126  1130     1 
+ 1126  1133     1 
+ 1127  1129     1 
+ 1127  1130     1 
+ 1127  1133     1 
+ 1128  1133     1 
+ 1129  1131     1 
+ 1129  1132     1 
+ 1133  1138     1 
+ 1133  1139     1 
+ 1133  1152     1 
+ 1134  1136     1 
+ 1134  1137     1 
+ 1135  1140     1 
+ 1135  1141     1 
+ 1135  1142     1 
+ 1135  1153     1 
+ 1135  1154     1 
+ 1136  1138     1 
+ 1136  1139     1 
+ 1136  1152     1 
+ 1137  1143     1 
+ 1137  1144     1 
+ 1137  1148     1 
+ 1137  1155     1 
+ 1137  1156     1 
+ 1138  1140     1 
+ 1138  1141     1 
+ 1138  1142     1 
+ 1138  1153     1 
+ 1138  1154     1 
+ 1139  1145     1 
+ 1139  1146     1 
+ 1139  1147     1 
+ 1139  1149     1 
+ 1139  1150     1 
+ 1139  1151     1 
+ 1139  1153     1 
+ 1139  1154     1 
+ 1140  1143     1 
+ 1140  1144     1 
+ 1140  1148     1 
+ 1140  1152     1 
+ 1141  1143     1 
+ 1141  1144     1 
+ 1141  1148     1 
+ 1141  1152     1 
+ 1142  1152     1 
+ 1143  1145     1 
+ 1143  1146     1 
+ 1143  1147     1 
+ 1143  1149     1 
+ 1143  1150     1 
+ 1143  1151     1 
+ 1144  1149     1 
+ 1144  1150     1 
+ 1144  1151     1 
+ 1145  1148     1 
+ 1146  1148     1 
+ 1147  1148     1 
+ 1152  1157     1 
+ 1152  1158     1 
+ 1152  1162     1 
+ 1153  1155     1 
+ 1153  1156     1 
+ 1154  1159     1 
+ 1154  1160     1 
+ 1154  1161     1 
+ 1154  1163     1 
+ 1154  1164     1 
+ 1155  1157     1 
+ 1155  1158     1 
+ 1155  1162     1 
+ 1156  1165     1 
+ 1156  1166     1 
+ 1156  1405     1 
+ 1157  1159     1 
+ 1157  1160     1 
+ 1157  1161     1 
+ 1157  1163     1 
+ 1157  1164     1 
+ 1158  1163     1 
+ 1158  1164     1 
+ 1158  1402     1 
+ 1159  1162     1 
+ 1159  1405     1 
+ 1160  1162     1 
+ 1160  1405     1 
+ 1161  1162     1 
+ 1161  1400     1 
+ 1161  1403     1 
+ 1161  1404     1 
+ 1162  1167     1 
+ 1162  1168     1 
+ 1162  1176     1 
+ 1163  1165     1 
+ 1163  1166     1 
+ 1164  1169     1 
+ 1164  1170     1 
+ 1164  1171     1 
+ 1164  1177     1 
+ 1164  1178     1 
+ 1165  1167     1 
+ 1165  1168     1 
+ 1165  1176     1 
+ 1166  1172     1 
+ 1166  1173     1 
+ 1166  1179     1 
+ 1166  1180     1 
+ 1167  1169     1 
+ 1167  1170     1 
+ 1167  1171     1 
+ 1167  1177     1 
+ 1167  1178     1 
+ 1168  1174     1 
+ 1168  1175     1 
+ 1168  1177     1 
+ 1168  1178     1 
+ 1169  1172     1 
+ 1169  1173     1 
+ 1169  1176     1 
+ 1170  1172     1 
+ 1170  1173     1 
+ 1170  1176     1 
+ 1171  1176     1 
+ 1172  1174     1 
+ 1172  1175     1 
+ 1176  1181     1 
+ 1176  1182     1 
+ 1176  1195     1 
+ 1177  1179     1 
+ 1177  1180     1 
+ 1178  1183     1 
+ 1178  1184     1 
+ 1178  1187     1 
+ 1178  1196     1 
+ 1178  1197     1 
+ 1179  1181     1 
+ 1179  1182     1 
+ 1179  1195     1 
+ 1180  1185     1 
+ 1180  1186     1 
+ 1180  1188     1 
+ 1180  1189     1 
+ 1180  1190     1 
+ 1180  1191     1 
+ 1180  1198     1 
+ 1180  1206     1 
+ 1181  1183     1 
+ 1181  1184     1 
+ 1181  1187     1 
+ 1181  1196     1 
+ 1181  1197     1 
+ 1182  1192     1 
+ 1182  1193     1 
+ 1182  1194     1 
+ 1182  1196     1 
+ 1182  1197     1 
+ 1183  1185     1 
+ 1183  1186     1 
+ 1183  1188     1 
+ 1183  1189     1 
+ 1183  1190     1 
+ 1183  1191     1 
+ 1183  1195     1 
+ 1184  1188     1 
+ 1184  1189     1 
+ 1184  1190     1 
+ 1184  1195     1 
+ 1185  1187     1 
+ 1185  1192     1 
+ 1185  1193     1 
+ 1185  1194     1 
+ 1186  1187     1 
+ 1186  1192     1 
+ 1186  1193     1 
+ 1186  1194     1 
+ 1187  1191     1 
+ 1187  1195     1 
+ 1195  1199     1 
+ 1195  1200     1 
+ 1195  1203     1 
+ 1195  1207     1 
+ 1195  1208     1 
+ 1195  1209     1 
+ 1196  1198     1 
+ 1196  1206     1 
+ 1197  1201     1 
+ 1197  1202     1 
+ 1197  1204     1 
+ 1197  1205     1 
+ 1197  1210     1 
+ 1197  1211     1 
+ 1198  1204     1 
+ 1198  1205     1 
+ 1198  1207     1 
+ 1198  1208     1 
+ 1198  1212     1 
+ 1198  1213     1 
+ 1199  1201     1 
+ 1199  1202     1 
+ 1199  1203     1 
+ 1199  1206     1 
+ 1199  1210     1 
+ 1199  1211     1 
+ 1200  1207     1 
+ 1200  1208     1 
+ 1200  1210     1 
+ 1200  1211     1 
+ 1201  1204     1 
+ 1201  1205     1 
+ 1201  1206     1 
+ 1201  1209     1 
+ 1202  1204     1 
+ 1202  1205     1 
+ 1202  1206     1 
+ 1202  1209     1 
+ 1203  1209     1 
+ 1204  1207     1 
+ 1204  1208     1 
+ 1205  1207     1 
+ 1205  1208     1 
+ 1206  1209     1 
+ 1209  1214     1 
+ 1209  1215     1 
+ 1209  1219     1 
+ 1210  1212     1 
+ 1210  1213     1 
+ 1211  1216     1 
+ 1211  1217     1 
+ 1211  1218     1 
+ 1211  1220     1 
+ 1211  1221     1 
+ 1212  1214     1 
+ 1212  1215     1 
+ 1212  1219     1 
+ 1213  1222     1 
+ 1213  1223     1 
+ 1214  1216     1 
+ 1214  1217     1 
+ 1214  1218     1 
+ 1214  1220     1 
+ 1214  1221     1 
+ 1215  1220     1 
+ 1215  1221     1 
+ 1216  1219     1 
+ 1217  1219     1 
+ 1218  1219     1 
+ 1219  1224     1 
+ 1219  1225     1 
+ 1219  1230     1 
+ 1220  1222     1 
+ 1220  1223     1 
+ 1221  1226     1 
+ 1221  1227     1 
+ 1221  1228     1 
+ 1221  1231     1 
+ 1221  1232     1 
+ 1222  1224     1 
+ 1222  1225     1 
+ 1222  1230     1 
+ 1223  1229     1 
+ 1223  1233     1 
+ 1223  1234     1 
+ 1224  1226     1 
+ 1224  1227     1 
+ 1224  1228     1 
+ 1224  1231     1 
+ 1224  1232     1 
+ 1225  1231     1 
+ 1225  1232     1 
+ 1226  1229     1 
+ 1226  1230     1 
+ 1227  1229     1 
+ 1227  1230     1 
+ 1228  1230     1 
+ 1230  1235     1 
+ 1230  1236     1 
+ 1230  1240     1 
+ 1231  1233     1 
+ 1231  1234     1 
+ 1232  1237     1 
+ 1232  1238     1 
+ 1232  1239     1 
+ 1232  1241     1 
+ 1232  1242     1 
+ 1233  1235     1 
+ 1233  1236     1 
+ 1233  1240     1 
+ 1234  1243     1 
+ 1234  1244     1 
+ 1235  1237     1 
+ 1235  1238     1 
+ 1235  1239     1 
+ 1235  1241     1 
+ 1235  1242     1 
+ 1236  1241     1 
+ 1236  1242     1 
+ 1237  1240     1 
+ 1238  1240     1 
+ 1239  1240     1 
+ 1240  1245     1 
+ 1240  1246     1 
+ 1240  1259     1 
+ 1241  1243     1 
+ 1241  1244     1 
+ 1242  1247     1 
+ 1242  1248     1 
+ 1242  1249     1 
+ 1242  1260     1 
+ 1242  1261     1 
+ 1243  1245     1 
+ 1243  1246     1 
+ 1243  1259     1 
+ 1244  1250     1 
+ 1244  1251     1 
+ 1244  1255     1 
+ 1244  1262     1 
+ 1244  1263     1 
+ 1245  1247     1 
+ 1245  1248     1 
+ 1245  1249     1 
+ 1245  1260     1 
+ 1245  1261     1 
+ 1246  1252     1 
+ 1246  1253     1 
+ 1246  1254     1 
+ 1246  1256     1 
+ 1246  1257     1 
+ 1246  1258     1 
+ 1246  1260     1 
+ 1246  1261     1 
+ 1247  1250     1 
+ 1247  1251     1 
+ 1247  1255     1 
+ 1247  1259     1 
+ 1248  1250     1 
+ 1248  1251     1 
+ 1248  1255     1 
+ 1248  1259     1 
+ 1249  1259     1 
+ 1250  1252     1 
+ 1250  1253     1 
+ 1250  1254     1 
+ 1250  1256     1 
+ 1250  1257     1 
+ 1250  1258     1 
+ 1251  1256     1 
+ 1251  1257     1 
+ 1251  1258     1 
+ 1252  1255     1 
+ 1253  1255     1 
+ 1254  1255     1 
+ 1259  1264     1 
+ 1259  1265     1 
+ 1259  1278     1 
+ 1260  1262     1 
+ 1260  1263     1 
+ 1261  1266     1 
+ 1261  1267     1 
+ 1261  1268     1 
+ 1261  1279     1 
+ 1261  1280     1 
+ 1262  1264     1 
+ 1262  1265     1 
+ 1262  1278     1 
+ 1263  1269     1 
+ 1263  1270     1 
+ 1263  1274     1 
+ 1263  1281     1 
+ 1263  1282     1 
+ 1264  1266     1 
+ 1264  1267     1 
+ 1264  1268     1 
+ 1264  1279     1 
+ 1264  1280     1 
+ 1265  1271     1 
+ 1265  1272     1 
+ 1265  1273     1 
+ 1265  1275     1 
+ 1265  1276     1 
+ 1265  1277     1 
+ 1265  1279     1 
+ 1265  1280     1 
+ 1266  1269     1 
+ 1266  1270     1 
+ 1266  1274     1 
+ 1266  1278     1 
+ 1267  1269     1 
+ 1267  1270     1 
+ 1267  1274     1 
+ 1267  1278     1 
+ 1268  1278     1 
+ 1269  1271     1 
+ 1269  1272     1 
+ 1269  1273     1 
+ 1269  1275     1 
+ 1269  1276     1 
+ 1269  1277     1 
+ 1270  1275     1 
+ 1270  1276     1 
+ 1270  1277     1 
+ 1271  1274     1 
+ 1272  1274     1 
+ 1273  1274     1 
+ 1278  1283     1 
+ 1278  1284     1 
+ 1278  1289     1 
+ 1279  1281     1 
+ 1279  1282     1 
+ 1280  1285     1 
+ 1280  1286     1 
+ 1280  1287     1 
+ 1280  1290     1 
+ 1280  1291     1 
+ 1281  1283     1 
+ 1281  1284     1 
+ 1281  1289     1 
+ 1282  1288     1 
+ 1282  1292     1 
+ 1282  1293     1 
+ 1283  1285     1 
+ 1283  1286     1 
+ 1283  1287     1 
+ 1283  1290     1 
+ 1283  1291     1 
+ 1284  1290     1 
+ 1284  1291     1 
+ 1285  1288     1 
+ 1285  1289     1 
+ 1286  1288     1 
+ 1286  1289     1 
+ 1287  1289     1 
+ 1289  1294     1 
+ 1289  1295     1 
+ 1289  1300     1 
+ 1290  1292     1 
+ 1290  1293     1 
+ 1291  1296     1 
+ 1291  1297     1 
+ 1291  1298     1 
+ 1291  1301     1 
+ 1291  1302     1 
+ 1292  1294     1 
+ 1292  1295     1 
+ 1292  1300     1 
+ 1293  1299     1 
+ 1293  1303     1 
+ 1293  1304     1 
+ 1294  1296     1 
+ 1294  1297     1 
+ 1294  1298     1 
+ 1294  1301     1 
+ 1294  1302     1 
+ 1295  1301     1 
+ 1295  1302     1 
+ 1296  1299     1 
+ 1296  1300     1 
+ 1297  1299     1 
+ 1297  1300     1 
+ 1298  1300     1 
+ 1300  1305     1 
+ 1300  1306     1 
+ 1300  1312     1 
+ 1301  1303     1 
+ 1301  1304     1 
+ 1302  1307     1 
+ 1302  1308     1 
+ 1302  1309     1 
+ 1302  1313     1 
+ 1302  1314     1 
+ 1303  1305     1 
+ 1303  1306     1 
+ 1303  1312     1 
+ 1304  1310     1 
+ 1304  1311     1 
+ 1304  1315     1 
+ 1304  1316     1 
+ 1305  1307     1 
+ 1305  1308     1 
+ 1305  1309     1 
+ 1305  1313     1 
+ 1305  1314     1 
+ 1306  1313     1 
+ 1306  1314     1 
+ 1307  1310     1 
+ 1307  1311     1 
+ 1307  1312     1 
+ 1308  1310     1 
+ 1308  1311     1 
+ 1308  1312     1 
+ 1309  1312     1 
+ 1312  1317     1 
+ 1312  1318     1 
+ 1312  1331     1 
+ 1313  1315     1 
+ 1313  1316     1 
+ 1314  1319     1 
+ 1314  1320     1 
+ 1314  1323     1 
+ 1314  1332     1 
+ 1314  1333     1 
+ 1315  1317     1 
+ 1315  1318     1 
+ 1315  1331     1 
+ 1316  1321     1 
+ 1316  1322     1 
+ 1316  1324     1 
+ 1316  1325     1 
+ 1316  1326     1 
+ 1316  1327     1 
+ 1316  1334     1 
+ 1316  1335     1 
+ 1317  1319     1 
+ 1317  1320     1 
+ 1317  1323     1 
+ 1317  1332     1 
+ 1317  1333     1 
+ 1318  1328     1 
+ 1318  1329     1 
+ 1318  1330     1 
+ 1318  1332     1 
+ 1318  1333     1 
+ 1319  1321     1 
+ 1319  1322     1 
+ 1319  1324     1 
+ 1319  1325     1 
+ 1319  1326     1 
+ 1319  1327     1 
+ 1319  1331     1 
+ 1320  1324     1 
+ 1320  1325     1 
+ 1320  1326     1 
+ 1320  1331     1 
+ 1321  1323     1 
+ 1321  1328     1 
+ 1321  1329     1 
+ 1321  1330     1 
+ 1322  1323     1 
+ 1322  1328     1 
+ 1322  1329     1 
+ 1322  1330     1 
+ 1323  1327     1 
+ 1323  1331     1 
+ 1331  1336     1 
+ 1331  1337     1 
+ 1331  1345     1 
+ 1332  1334     1 
+ 1332  1335     1 
+ 1333  1338     1 
+ 1333  1339     1 
+ 1333  1341     1 
+ 1333  1346     1 
+ 1333  1347     1 
+ 1334  1336     1 
+ 1334  1337     1 
+ 1334  1345     1 
+ 1335  1340     1 
+ 1335  1342     1 
+ 1335  1343     1 
+ 1335  1344     1 
+ 1335  1348     1 
+ 1335  1349     1 
+ 1336  1338     1 
+ 1336  1339     1 
+ 1336  1341     1 
+ 1336  1346     1 
+ 1336  1347     1 
+ 1337  1346     1 
+ 1337  1347     1 
+ 1338  1340     1 
+ 1338  1342     1 
+ 1338  1343     1 
+ 1338  1344     1 
+ 1338  1345     1 
+ 1339  1342     1 
+ 1339  1343     1 
+ 1339  1344     1 
+ 1339  1345     1 
+ 1340  1341     1 
+ 1341  1345     1 
+ 1345  1350     1 
+ 1345  1351     1 
+ 1345  1355     1 
+ 1346  1348     1 
+ 1346  1349     1 
+ 1347  1352     1 
+ 1347  1353     1 
+ 1347  1354     1 
+ 1347  1356     1 
+ 1347  1357     1 
+ 1348  1350     1 
+ 1348  1351     1 
+ 1348  1355     1 
+ 1349  1358     1 
+ 1349  1359     1 
+ 1350  1352     1 
+ 1350  1353     1 
+ 1350  1354     1 
+ 1350  1356     1 
+ 1350  1357     1 
+ 1351  1356     1 
+ 1351  1357     1 
+ 1352  1355     1 
+ 1353  1355     1 
+ 1354  1355     1 
+ 1355  1360     1 
+ 1355  1361     1 
+ 1355  1366     1 
+ 1356  1358     1 
+ 1356  1359     1 
+ 1357  1362     1 
+ 1357  1363     1 
+ 1357  1364     1 
+ 1357  1367     1 
+ 1357  1368     1 
+ 1358  1360     1 
+ 1358  1361     1 
+ 1358  1366     1 
+ 1359  1365     1 
+ 1359  1369     1 
+ 1359  1370     1 
+ 1360  1362     1 
+ 1360  1363     1 
+ 1360  1364     1 
+ 1360  1367     1 
+ 1360  1368     1 
+ 1361  1367     1 
+ 1361  1368     1 
+ 1362  1365     1 
+ 1362  1366     1 
+ 1363  1365     1 
+ 1363  1366     1 
+ 1364  1366     1 
+ 1366  1371     1 
+ 1366  1372     1 
+ 1366  1382     1 
+ 1367  1369     1 
+ 1367  1370     1 
+ 1368  1373     1 
+ 1368  1374     1 
+ 1368  1378     1 
+ 1368  1383     1 
+ 1368  1384     1 
+ 1369  1371     1 
+ 1369  1372     1 
+ 1369  1382     1 
+ 1370  1375     1 
+ 1370  1376     1 
+ 1370  1377     1 
+ 1370  1379     1 
+ 1370  1380     1 
+ 1370  1381     1 
+ 1370  1385     1 
+ 1370  1386     1 
+ 1371  1373     1 
+ 1371  1374     1 
+ 1371  1378     1 
+ 1371  1383     1 
+ 1371  1384     1 
+ 1372  1383     1 
+ 1372  1384     1 
+ 1373  1375     1 
+ 1373  1376     1 
+ 1373  1377     1 
+ 1373  1379     1 
+ 1373  1380     1 
+ 1373  1381     1 
+ 1373  1382     1 
+ 1374  1379     1 
+ 1374  1380     1 
+ 1374  1381     1 
+ 1374  1382     1 
+ 1375  1378     1 
+ 1376  1378     1 
+ 1377  1378     1 
+ 1378  1382     1 
+ 1382  1387     1 
+ 1382  1388     1 
+ 1382  1396     1 
+ 1383  1385     1 
+ 1383  1386     1 
+ 1384  1389     1 
+ 1384  1390     1 
+ 1384  1391     1 
+ 1384  1397     1 
+ 1384  1398     1 
+ 1385  1387     1 
+ 1385  1388     1 
+ 1385  1396     1 
+ 1386  1392     1 
+ 1386  1393     1 
+ 1386  1399     1 
+ 1386  1400     1 
+ 1387  1389     1 
+ 1387  1390     1 
+ 1387  1391     1 
+ 1387  1397     1 
+ 1387  1398     1 
+ 1388  1394     1 
+ 1388  1395     1 
+ 1388  1397     1 
+ 1388  1398     1 
+ 1389  1392     1 
+ 1389  1393     1 
+ 1389  1396     1 
+ 1390  1392     1 
+ 1390  1393     1 
+ 1390  1396     1 
+ 1391  1396     1 
+ 1392  1394     1 
+ 1392  1395     1 
+ 1396  1401     1 
+ 1396  1402     1 
+ 1396  1406     1 
+ 1397  1399     1 
+ 1397  1400     1 
+ 1398  1403     1 
+ 1398  1404     1 
+ 1398  1405     1 
+ 1398  1407     1 
+ 1398  1408     1 
+ 1399  1401     1 
+ 1399  1402     1 
+ 1399  1406     1 
+ 1400  1409     1 
+ 1400  1410     1 
+ 1401  1403     1 
+ 1401  1404     1 
+ 1401  1405     1 
+ 1401  1407     1 
+ 1401  1408     1 
+ 1402  1407     1 
+ 1402  1408     1 
+ 1403  1406     1 
+ 1404  1406     1 
+ 1405  1406     1 
+ 1406  1411     1 
+ 1406  1412     1 
+ 1406  1416     1 
+ 1407  1409     1 
+ 1407  1410     1 
+ 1408  1413     1 
+ 1408  1414     1 
+ 1408  1415     1 
+ 1408  1417     1 
+ 1408  1418     1 
+ 1409  1411     1 
+ 1409  1412     1 
+ 1409  1416     1 
+ 1410  1419     1 
+ 1410  1420     1 
+ 1411  1413     1 
+ 1411  1414     1 
+ 1411  1415     1 
+ 1411  1417     1 
+ 1411  1418     1 
+ 1412  1417     1 
+ 1412  1418     1 
+ 1413  1416     1 
+ 1414  1416     1 
+ 1415  1416     1 
+ 1416  1421     1 
+ 1416  1422     1 
+ 1416  1438     1 
+ 1417  1419     1 
+ 1417  1420     1 
+ 1418  1423     1 
+ 1418  1424     1 
+ 1418  1425     1 
+ 1418  1439     1 
+ 1418  1440     1 
+ 1419  1421     1 
+ 1419  1422     1 
+ 1419  1438     1 
+ 1420  1426     1 
+ 1420  1427     1 
+ 1420  1428     1 
+ 1420  1441     1 
+ 1420  1442     1 
+ 1421  1423     1 
+ 1421  1424     1 
+ 1421  1425     1 
+ 1421  1439     1 
+ 1421  1440     1