Mercurial > repos > chemteam > gmx_em
changeset 0:911eb71ccd1f draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 177cab098ac548bfdecba9d9f04614aec5f6c618
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Thu Oct 04 17:39:57 2018 -0400 @@ -0,0 +1,93 @@ +<macros> + <token name="@VERSION@">2018.2</token> + <xml name="requirements"> + <requirements> + <requirement type="package" version="@VERSION@">gromacs</requirement> + </requirements> + </xml> + <xml name="citations"> + <citations> + <citation type="doi">10.1016/j.softx.2015.06.001</citation> + </citations> + </xml> + + + <xml name="md_inputs"> + <conditional name="mdp"> + <param name="mdpfile" type="select" label="Parameter input"> + <option value="custom">Upload own MDP file</option> + <option value="default">Use default (partially customisable) setting</option> + </param> + <when value="custom"> + <param argument="mdp_input" type="data" format='mdp' label="MD parameters (MDP) file (optional; default settings if not set)."/> + </when> + <when value="default"> + <param argument="integrator" type="select" label="Choice of integrator."> + <option value="md">A leap-frog algorithm for integrating Newton's equations of motion.</option> + <option value="sd">Stochastic dynamics integrator</option> + <option value="bd">An Euler integrator for Brownian or position Langevin dynamics.</option> + </param> + <param argument="constraints" type="select" label="Bond constraints (constraints)."> + <option value="none">No constraints except for those defined explicitly in the topology (none).</option> + <option value="h-bonds">Bonds with H-atoms. (h-bonds).</option> + <option value="all-bonds">All bonds (all-bonds).</option> + <option value="h-angles">Bonds and angles with H-atoms. (h-angles).</option> + <option value="all-angles">All bonds and angles (all-angles).</option> + </param> + <param argument="cutoffscheme" type="select" label="Neighbor searching."> + <option value="Verlet">Generate a pair list with buffering.</option> + <option value="group">Generate a pair list for groups of atoms.</option> + </param> + <param argument="coulombtype" type="select" label="Electrostatics."> + <option value="PME">Fast smooth Particle-Mesh Ewald (SPME) electrostatics.</option> + <option value="P3M-AD">Particle-Particle Particle-Mesh algorithm with analytical derivative.</option> + <option value="Reaction-Field-zero">Reaction field electrostatics.</option> + </param> + + <param argument="temperature" type="integer" label="Temperature /K" value="0" min="0" max="1000000" help="Temperature" /> + <param argument="step_length" type="float" label="Step length in ps" value="0" min="0.0001" max="1.0" help="Step length in ps." /> + <param argument="write_freq" type="integer" label="Number of steps that elapse between saving data points (velocities, forces, energies)" value="0" min="0" max="1000000" help="Step length in ps." /> + <param argument="rcoulomb" value="1.0" type="float" label="Distance for the Coulomb cut-off."/> + <param argument="rlist" value="1.0" type="float" label="Cut-off distance for the short-range neighbor list. Ignored if the Verlet cutoff scheme is set."/> + <param argument="rvdw" value="1.0" type="float" label="Short range van der Waals cutoff."/> + <param argument="md_steps" type="integer" label="Number of steps for the NPT equilibration" value="0" min="0" max="1000000" help="NPT steps" /> + + </when> + + </conditional> + + <param argument="traj" type="select" label="Trajectory output."> + <option value='none'>Return no trajectory output</option> + <option value='xtc'>Return .xtc file (reduced precision)</option> + <option value='trr'>Return .trr file (full precision)</option> + <option value='both'>Return both .xtc and .trr files</option> + </param> + + <param argument="str" type="select" label="Structure output."> + <option value='none'>Return no trajectory output</option> + <option value='gro'>Return .gro file</option> + <option value='pdb'>Return .pdb file</option> + <option value='both'>Return both .gro and .pdb files</option> + </param> + + <param name="capture_log" type="boolean" value="false" label="Generate Detailed Log" help="Generate detailed log information that can be summarized with ParseLog."/> + + + </xml> + + + <xml name="test_params"> + <param name="mdpfile" value="default" /> + <param name="step_length" value="0.002"/> + <param name="md_steps" value="500"/> + <param name="write_freq" value="50"/> + <param name="temperature" value="300"/> + <param name="integrator" value="md" /> + <param name="constraints" value="all-bonds"/> + <param name="cutoffscheme" value="Verlet" /> + <param name="coulombtype" value="PME" /> + <param name="rlist" value="1.0" /> + <param name="rcoulomb" value="1.0" /> + <param name="rvdw" value="1.0" /> + </xml> +</macros>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/minim.xml Thu Oct 04 17:39:57 2018 -0400 @@ -0,0 +1,123 @@ +<tool id="gmx_em" name="GROMACS energy minimization" version="@VERSION@"> + <description>of the system prior to equilibration and production MD</description> + <macros> + <import>macros.xml</import> + </macros> + + <expand macro="requirements" /> + + <command detect_errors="exit_code"><![CDATA[ + + #if $mdp.mdpfile == 'custom': + ln -s '$mdp.mdp_input' ./minim.mdp && + #else: + ln -s '$minim' ./minim.mdp && + #end if + + ln -s '$gro_input' ./solv_ions.gro && + ln -s '$top_input' ./top_input.top && + + gmx grompp -f ./minim.mdp -c ./solv_ions.gro -p ./top_input.top -o em.tpr &>> verbose.txt && + gmx mdrun -deffnm em &>> verbose.txt + + ]]></command> + <configfiles> + <!-- .mdp files for the gromacs simulation --> + <configfile name="minim"> + #if $mdp.mdpfile == 'default': + ; minim.mdp - used as input into grompp to generate em.tpr + integrator = $mdp.integrator ; Algorithm (steep = steepest descent minimization) + emtol = $mdp.emtol ; Stop minimization when the maximum force is less than this value + emstep = $mdp.emstep ; Energy step size + nsteps = $mdp.md_steps ; Maximum number of (minimization) steps to perform + + ; Parameters describing how to find the neighbors of each atom and how to calculate the interactions + nstlist = 1 ; Frequency to update the neighbor list and long range forces + cutoff-scheme = $mdp.cutoffscheme + ns_type = grid ; Method to determine neighbor list (simple, grid) + coulombtype = $mdp.coulombtype ; Treatment of long range electrostatic interactions + rcoulomb = $mdp.rcoulomb ; Short-range electrostatic cut-off + rlist = $mdp.rlist ; Cut-off distance for the short-range neighbor list. + rvdw = $mdp.rvdw ; Short-range Van der Waals cut-off + pbc = xyz ; Periodic Boundary Conditions (yes/no) + #end if + </configfile> + </configfiles> + + <inputs> + <param argument="gro_input" type="data" format='gro' label="GRO structure file."/> + <param argument="top_input" type="data" format='top' label="Topology (TOP) file."/> + <param name="capture_log" type="boolean" value="false" label="Generate Detailed Log" help="Generate detailed log information that can be summarized with ParseLog."/> + + <conditional name="mdp"> + <param name="mdpfile" type="select" label="Parameter input"> + <option value="custom">Upload own MDP file</option> + <option value="default">Use default (partially customisable) setting</option> + </param> + <when value="custom"> + <param argument="mdp_input" type="data" format='mdp' label="MD parameters (MDP) file (optional; default settings if not set)."/> + </when> + + <when value="default"> + <param argument="integrator" type="select" label="Choice of integrator."> + <option value="steep">Steepest descent algorithm.</option> + <option value="cg">Conjugate gradient algorithm.</option> + <option value="l-bfgs">Quasi-Newtonian algorithm.</option> + </param> + <param argument="cutoffscheme" type="select" label="Neighbor searching."> + <option value="Verlet">Generate a pair list with buffering.</option> + <option value="group">Generate a pair list for groups of atoms.</option> + </param> + <param argument="coulombtype" type="select" label="Electrostatics."> + <option value="PME">Fast smooth Particle-Mesh Ewald (SPME) electrostatics.</option> + <option value="P3M-AD">Particle-Particle Particle-Mesh algorithm with analytical derivative.</option> + <option value="Reaction-Field-zero">Reaction field electrostatics.</option> + </param> + <param argument="rcoulomb" value="1.0" type="float" label="Distance for the Coulomb cut-off."/> + <param argument="rlist" value="1.0" type="float" label="Cut-off distance for the short-range neighbor list. Ignored if the Verlet cutoff scheme is set."/> + <param argument="rvdw" value="1.0" type="float" label="Short range van der Waals cutoff."/> + <param argument="md_steps" type="integer" label="Number of steps for the MD simulation" value="0" min="0" max="1000000" help="MD steps" /> + <param argument="emtol" type="float" label="EM tolerance" value="0" min="0" max="10000" help="The minimization is converged when the maximum force is smaller than this value" /> + <param argument="emstep" type="float" label="Maximum step size /nm" value="0.01" min="0.0001" max="1.0" help="Initial step size in nm." /> + </when> + </conditional> + </inputs> + <outputs> + <data name="output1" format="gro" from_work_dir="em.gro"/> + <data name="report" format="txt" from_work_dir="verbose.txt"> + <filter>capture_log</filter> + </data> + </outputs> + <tests> + <test> + <param name="gro_input" value="solv_ions.gro" /> + <param name="top_input" value="topol_solv.top" /> + <param name="mdpfile" value="default" /> + <param name="integrator" value="steep" /> + <param name="cutoffscheme" value="Verlet" /> + <param name="coulombtype" value="PME" /> + <param name="rcoulomb" value="1.0" /> + <param name="rlist" value="1.0" /> + <param name="md_steps" value="50000" /> + <param name="emtol" value="1000.0" /> + <param name="emstep" value="0.01" /> + + <output name="output1" file="em.gro" ftype="gro" compare="sim_size"/> + </test> + <test> + <param name="gro_input" value="solv_ions.gro" /> + <param name="top_input" value="topol_solv.top" /> + <param name="mdpfile" value="custom" /> + <param name="mdp_input" value="minim.mdp" /> + <output name="output1" file="em.gro" ftype="gro" compare="sim_size"/> + </test> + + </tests> + <help><![CDATA[ + +Upload GRO and TOP files for energy minimisation. To take advantage of all GROMACS features, upload an MDP file with simulation parameters. Otherwise, choose parameters through the Galaxy interface. See http://manual.gromacs.org/online/mdp_opt.html for more information on the options. + + ]]></help> + + <expand macro="citations" /> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/1AKI.pdb Thu Oct 04 17:39:57 2018 -0400 @@ -0,0 +1,1436 @@ +HEADER HYDROLASE 19-MAY-97 1AKI +TITLE THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE +TITLE 2 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: LYSOZYME; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.2.1.17 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; +SOURCE 3 ORGANISM_COMMON: CHICKEN; +SOURCE 4 ORGANISM_TAXID: 9031; +SOURCE 5 CELL: EGG +KEYWDS HYDROLASE, GLYCOSIDASE +EXPDTA X-RAY DIFFRACTION +AUTHOR D.CARTER,J.HE,J.R.RUBLE,B.WRIGHT +REVDAT 2 24-FEB-09 1AKI 1 VERSN +REVDAT 1 19-NOV-97 1AKI 0 +JRNL AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.W.RICE,K.S.WILSON +JRNL TITL THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC +JRNL TITL 2 FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS +JRNL TITL 3 RESOLUTION +JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 38 778 1982 +JRNL REFN ISSN 0108-7681 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 1.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : GPRLSA, X-PLOR +REMARK 3 AUTHORS : FUREY +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 3 NUMBER OF REFLECTIONS : 16327 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.212 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1001 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 78 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : 10.00 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.009 ; 0.010 +REMARK 3 ANGLE DISTANCE (A) : 0.003 ; 0.025 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.024 ; 0.020 +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.033 ; 0.030 +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.212 ; 0.200 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.300 +REMARK 3 MULTIPLE TORSION (A) : 0.159 ; 0.300 +REMARK 3 H-BOND (X...Y) (A) : 0.299 ; 0.300 +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 7.900 ; 5.000 +REMARK 3 STAGGERED (DEGREES) : 17.800; 15.000 +REMARK 3 TRANSVERSE (DEGREES) : 18.900; 15.000 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.500 ; 3.000 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.900 ; 4.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.200 ; 4.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.600 ; 3.000 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AKI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NOV-95 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 4.48 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : GRAPHITE(002) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RIGAKU +REMARK 200 DATA SCALING SOFTWARE : BIOTEX +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20571 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 200 DATA REDUNDANCY : 3.100 +REMARK 200 R MERGE (I) : 0.04400 +REMARK 200 R SYM (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.7000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: PDB ENTRY 2LZH +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.84 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.48 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.25850 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.25850 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NH2 ARG A 45 NH2 ARG A 68 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OD1 ASN A 19 ND2 ASN A 39 1556 2.09 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES +REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 13.6 DEGREES +REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.1 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.7 DEGREES +REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES +REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES +REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES +REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES +REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES +REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG A 14 0.12 SIDE_CHAIN +REMARK 500 ARG A 21 0.21 SIDE_CHAIN +REMARK 500 ARG A 68 0.15 SIDE_CHAIN +REMARK 500 ARG A 73 0.25 SIDE_CHAIN +REMARK 500 ARG A 112 0.15 SIDE_CHAIN +REMARK 500 ARG A 114 0.13 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 ARG A 128 10.17 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AKI A 1 129 UNP P00698 LYSC_CHICK 19 147 +SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS +SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY +SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN +SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP +SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN +SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE +SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER +SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY +SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY +SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU +FORMUL 2 HOH *78(H2 O) +HELIX 1 1 ARG A 5 ARG A 14 1 10 +HELIX 2 2 TYR A 20 GLY A 22 5 3 +HELIX 3 3 LEU A 25 SER A 36 1 12 +HELIX 4 4 CYS A 80 LEU A 84 5 5 +HELIX 5 5 THR A 89 ASP A 101 1 13 +HELIX 6 6 GLY A 104 ALA A 107 5 4 +HELIX 7 7 VAL A 109 ARG A 114 1 6 +HELIX 8 8 VAL A 120 TRP A 123 5 4 +SHEET 1 A 2 THR A 43 ARG A 45 0 +SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 +SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97 +SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.00 +SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99 +SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 +CRYST1 59.062 68.451 30.517 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.016931 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.014609 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.032769 0.00000 +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +HETATM 1003 O HOH A 130 23.434 40.063 -6.661 1.00 19.48 O +HETATM 1004 O HOH A 131 31.994 26.416 -6.047 0.90 22.43 O +HETATM 1005 O HOH A 132 30.250 13.337 9.787 0.98 20.93 O +HETATM 1006 O HOH A 133 22.384 42.331 -8.165 0.90 21.85 O +HETATM 1007 O HOH A 134 29.239 27.621 -3.670 1.00 17.47 O +HETATM 1008 O HOH A 135 29.464 37.761 -10.492 0.98 20.05 O +HETATM 1009 O HOH A 136 20.807 36.305 -11.082 1.00 18.47 O +HETATM 1010 O HOH A 137 41.318 17.849 -1.378 0.98 20.99 O +HETATM 1011 O HOH A 138 34.697 29.056 -4.039 0.89 22.31 O +HETATM 1012 O HOH A 139 26.871 17.298 13.496 1.00 20.31 O +HETATM 1013 O HOH A 140 32.131 11.050 -5.817 0.97 21.39 O +HETATM 1014 O HOH A 141 23.468 40.040 -2.372 0.91 23.40 O +HETATM 1015 O HOH A 142 21.390 45.524 -11.035 0.96 20.63 O +HETATM 1016 O HOH A 143 34.490 26.578 -5.741 0.75 22.11 O +HETATM 1017 O HOH A 144 16.422 34.139 -3.527 0.91 20.71 O +HETATM 1018 O HOH A 145 21.374 29.926 8.946 0.83 24.21 O +HETATM 1019 O HOH A 146 41.048 12.539 -0.011 0.70 22.71 O +HETATM 1020 O HOH A 147 32.794 35.686 2.558 0.78 20.71 O +HETATM 1021 O HOH A 148 49.648 8.964 6.343 0.83 21.93 O +HETATM 1022 O HOH A 149 14.452 34.901 -13.339 0.69 23.89 O +HETATM 1023 O HOH A 150 22.930 10.839 4.044 0.92 22.02 O +HETATM 1024 O HOH A 151 16.012 18.490 -2.200 0.85 24.37 O +HETATM 1025 O HOH A 152 12.130 21.587 3.044 0.78 24.35 O +HETATM 1026 O HOH A 153 15.684 38.922 -5.813 0.76 24.50 O +HETATM 1027 O HOH A 154 10.652 24.228 3.428 0.80 21.12 O +HETATM 1028 O HOH A 155 44.070 17.975 2.852 0.80 21.64 O +HETATM 1029 O HOH A 156 32.029 13.080 -8.110 0.85 20.63 O +HETATM 1030 O HOH A 157 36.425 19.613 15.174 0.56 23.44 O +HETATM 1031 O HOH A 158 37.941 30.505 -3.686 0.79 21.54 O +HETATM 1032 O HOH A 159 30.710 42.741 -6.289 0.72 22.79 O +HETATM 1033 O HOH A 160 23.922 44.367 -7.653 0.62 22.78 O +HETATM 1034 O HOH A 161 33.829 34.252 0.626 0.73 20.81 O +HETATM 1035 O HOH A 162 29.613 40.730 -9.602 0.78 22.12 O +HETATM 1036 O HOH A 163 23.563 7.995 4.406 0.58 22.93 O +HETATM 1037 O HOH A 164 31.511 42.362 -4.183 0.73 22.01 O +HETATM 1038 O HOH A 165 21.882 29.536 -15.013 0.81 22.04 O +HETATM 1039 O HOH A 166 37.763 20.913 9.782 0.86 21.57 O +HETATM 1040 O HOH A 167 42.338 17.481 5.165 0.65 22.17 O +HETATM 1041 O HOH A 168 23.344 39.739 -4.358 0.72 21.56 O +HETATM 1042 O HOH A 169 22.984 29.224 13.124 0.75 22.56 O +HETATM 1043 O HOH A 170 30.778 7.794 -3.514 0.65 21.58 O +HETATM 1044 O HOH A 171 42.965 14.657 4.991 0.63 23.91 O +HETATM 1045 O HOH A 172 36.927 17.948 -13.093 0.62 23.36 O +HETATM 1046 O HOH A 173 35.412 25.852 -11.575 0.58 23.42 O +HETATM 1047 O HOH A 174 37.428 32.540 -5.787 0.62 21.98 O +HETATM 1048 O HOH A 175 37.317 8.592 7.456 0.64 22.92 O +HETATM 1049 O HOH A 176 9.314 36.705 -11.546 0.69 23.77 O +HETATM 1050 O HOH A 177 39.972 23.760 -2.655 0.86 18.96 O +HETATM 1051 O HOH A 178 22.128 30.274 -0.543 0.76 18.78 O +HETATM 1052 O HOH A 179 22.244 15.813 10.000 0.68 19.66 O +HETATM 1053 O HOH A 180 40.729 9.223 0.292 0.64 20.15 O +HETATM 1054 O HOH A 181 12.500 15.267 4.097 0.56 20.12 O +HETATM 1055 O HOH A 182 20.372 28.618 -2.353 0.64 20.17 O +HETATM 1056 O HOH A 183 22.793 15.462 -6.673 0.63 20.60 O +HETATM 1057 O HOH A 184 23.138 31.809 15.121 0.55 20.90 O +HETATM 1058 O HOH A 185 22.671 38.691 8.245 0.48 21.16 O +HETATM 1059 O HOH A 186 33.966 33.112 6.837 0.59 19.45 O +HETATM 1060 O HOH A 187 19.572 25.423 -1.420 0.53 19.94 O +HETATM 1061 O HOH A 188 14.790 15.672 7.259 0.52 21.22 O +HETATM 1062 O HOH A 189 19.112 28.022 -14.647 0.49 19.83 O +HETATM 1063 O HOH A 190 17.302 39.059 -12.453 0.52 20.14 O +HETATM 1064 O HOH A 191 16.198 14.502 5.577 0.46 20.78 O +HETATM 1065 O HOH A 192 17.345 46.346 -7.080 0.50 18.13 O +HETATM 1066 O HOH A 193 14.992 31.300 -4.242 0.46 17.90 O +HETATM 1067 O HOH A 194 28.196 44.775 -3.148 0.44 18.15 O +HETATM 1068 O HOH A 195 29.479 13.863 -9.107 0.44 18.30 O +HETATM 1069 O HOH A 196 23.613 44.811 2.608 0.45 17.66 O +HETATM 1070 O HOH A 197 40.572 22.184 -6.358 0.42 18.06 O +HETATM 1071 O HOH A 198 12.475 31.860 -6.226 0.47 17.85 O +HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51 O +HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19 O +HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15 O +HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64 O +HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97 O +HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08 O +HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71 O +HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39 O +HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96 O +CONECT 48 981 +CONECT 238 889 +CONECT 513 630 +CONECT 601 724 +CONECT 630 513 +CONECT 724 601 +CONECT 889 238 +CONECT 981 48 +MASTER 290 0 0 8 2 0 0 6 1079 1 8 10 +END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/em.gro Thu Oct 04 17:39:57 2018 -0400 @@ -0,0 +1,38379 @@ +LYSOZYME in water +38376 + 1LYS N 1 4.422 3.406 2.462 + 1LYS H1 2 4.494 3.461 2.416 + 1LYS H2 3 4.354 3.379 2.393 + 1LYS H3 4 4.377 3.460 2.536 + 1LYS CA 5 4.475 3.284 2.524 + 1LYS HA 6 4.525 3.225 2.448 + 1LYS CB 7 4.578 3.317 2.635 + 1LYS HB1 8 4.664 3.365 2.589 + 1LYS HB2 9 4.537 3.390 2.705 + 1LYS CG 10 4.627 3.195 2.715 + 1LYS HG1 11 4.550 3.164 2.786 + 1LYS HG2 12 4.640 3.112 2.647 + 1LYS CD 13 4.759 3.218 2.790 + 1LYS HD1 14 4.838 3.237 2.718 + 1LYS HD2 15 4.751 3.306 2.854 + 1LYS CE 16 4.795 3.094 2.875 + 1LYS HE1 17 4.726 3.085 2.959 + 1LYS HE2 18 4.785 3.003 2.817 + 1LYS NZ 19 4.932 3.099 2.926 + 1LYS HZ1 20 4.942 3.016 2.986 + 1LYS HZ2 21 4.998 3.088 2.850 + 1LYS HZ3 22 4.950 3.185 2.977 + 1LYS C 23 4.358 3.203 2.578 + 1LYS O 24 4.272 3.260 2.645 + 2VAL N 25 4.356 3.072 2.555 + 2VAL H 26 4.430 3.030 2.497 + 2VAL CA 27 4.277 2.978 2.633 + 2VAL HA 28 4.200 3.028 2.690 + 2VAL CB 29 4.210 2.872 2.542 + 2VAL HB 30 4.288 2.814 2.492 + 2VAL CG1 31 4.121 2.775 2.623 + 2VAL HG11 32 4.069 2.705 2.558 + 2VAL HG12 33 4.179 2.716 2.694 + 2VAL HG13 34 4.045 2.829 2.680 + 2VAL CG2 35 4.125 2.937 2.432 + 2VAL HG21 36 4.075 2.863 2.371 + 2VAL HG22 37 4.049 3.000 2.477 + 2VAL HG23 38 4.185 3.000 2.365 + 2VAL C 39 4.378 2.913 2.729 + 2VAL O 40 4.480 2.858 2.686 + 3PHE N 41 4.350 2.923 2.858 + 3PHE H 42 4.262 2.968 2.884 + 3PHE CA 43 4.425 2.856 2.964 + 3PHE HA 44 4.532 2.858 2.942 + 3PHE CB 45 4.396 2.927 3.098 + 3PHE HB1 46 4.294 2.964 3.103 + 3PHE HB2 47 4.405 2.855 3.179 + 3PHE CG 48 4.489 3.043 3.132 + 3PHE CD1 49 4.468 3.171 3.079 + 3PHE HD1 50 4.385 3.188 3.012 + 3PHE CD2 51 4.595 3.021 3.221 + 3PHE HD2 52 4.609 2.923 3.263 + 3PHE CE1 53 4.556 3.276 3.112 + 3PHE HE1 54 4.541 3.375 3.072 + 3PHE CE2 55 4.683 3.126 3.256 + 3PHE HE2 56 4.764 3.108 3.324 + 3PHE CZ 57 4.663 3.254 3.200 + 3PHE HZ 58 4.730 3.335 3.226 + 3PHE C 59 4.376 2.711 2.977 + 3PHE O 60 4.258 2.680 2.956 + 4GLY N 61 4.465 2.625 3.025 + 4GLY H 62 4.562 2.656 3.035 + 4GLY CA 63 4.428 2.493 3.075 + 4GLY HA1 64 4.346 2.449 3.018 + 4GLY HA2 65 4.514 2.427 3.064 + 4GLY C 66 4.392 2.506 3.224 + 4GLY O 67 4.443 2.595 3.292 + 5ARG N 68 4.303 2.419 3.275 + 5ARG H 69 4.261 2.352 3.212 + 5ARG CA 70 4.249 2.422 3.412 + 5ARG HA 71 4.184 2.510 3.417 + 5ARG CB 72 4.163 2.296 3.436 + 5ARG HB1 73 4.079 2.296 3.367 + 5ARG HB2 74 4.221 2.208 3.410 + 5ARG CG 75 4.109 2.279 3.579 + 5ARG HG1 76 4.190 2.273 3.651 + 5ARG HG2 77 4.051 2.367 3.607 + 5ARG CD 78 4.021 2.154 3.596 + 5ARG HD1 79 3.975 2.151 3.694 + 5ARG HD2 80 3.938 2.157 3.525 + 5ARG NE 81 4.096 2.030 3.574 + 5ARG HE 82 4.077 1.988 3.482 + 5ARG CZ 83 4.166 1.961 3.666 + 5ARG NH1 84 4.183 2.007 3.790 + 5ARG HH11 85 4.151 2.100 3.820 + 5ARG HH12 86 4.226 1.946 3.861 + 5ARG NH2 87 4.221 1.844 3.635 + 5ARG HH21 88 4.191 1.794 3.550 + 5ARG HH22 89 4.271 1.790 3.704 + 5ARG C 90 4.356 2.442 3.521 + 5ARG O 91 4.347 2.534 3.603 + 6CYS N 92 4.458 2.356 3.519 + 6CYS H 93 4.456 2.281 3.451 + 6CYS CA 94 4.564 2.357 3.620 + 6CYS HA 95 4.520 2.373 3.718 + 6CYS CB 96 4.634 2.221 3.618 + 6CYS HB1 97 4.668 2.197 3.517 + 6CYS HB2 98 4.724 2.224 3.679 + 6CYS SG 99 4.529 2.086 3.679 + 6CYS C 100 4.668 2.468 3.597 + 6CYS O 101 4.728 2.515 3.694 + 7GLU N 102 4.683 2.516 3.473 + 7GLU H 103 4.625 2.478 3.400 + 7GLU CA 104 4.764 2.633 3.439 + 7GLU HA 105 4.865 2.620 3.479 + 7GLU CB 106 4.772 2.649 3.285 + 7GLU HB1 107 4.818 2.560 3.241 + 7GLU HB2 108 4.672 2.655 3.243 + 7GLU CG 109 4.852 2.773 3.240 + 7GLU HG1 110 4.816 2.864 3.287 + 7GLU HG2 111 4.954 2.764 3.273 + 7GLU CD 112 4.846 2.800 3.091 + 7GLU OE1 113 4.750 2.758 3.025 + 7GLU OE2 114 4.940 2.869 3.044 + 7GLU C 115 4.701 2.759 3.502 + 7GLU O 116 4.772 2.840 3.562 + 8LEU N 117 4.569 2.773 3.490 + 8LEU H 118 4.518 2.704 3.435 + 8LEU CA 119 4.494 2.885 3.546 + 8LEU HA 120 4.543 2.976 3.512 + 8LEU CB 121 4.349 2.883 3.497 + 8LEU HB1 122 4.347 2.877 3.388 + 8LEU HB2 123 4.300 2.791 3.531 + 8LEU CG 124 4.266 3.005 3.541 + 8LEU HG 125 4.267 3.013 3.650 + 8LEU CD1 126 4.321 3.137 3.484 + 8LEU HD11 127 4.257 3.221 3.510 + 8LEU HD12 128 4.420 3.160 3.523 + 8LEU HD13 129 4.329 3.133 3.375 + 8LEU CD2 130 4.120 2.987 3.503 + 8LEU HD21 131 4.061 3.072 3.537 + 8LEU HD22 132 4.109 2.979 3.395 + 8LEU HD23 133 4.078 2.898 3.549 + 8LEU C 134 4.496 2.881 3.699 + 8LEU O 135 4.517 2.984 3.763 + 9ALA N 136 4.479 2.762 3.759 + 9ALA H 137 4.456 2.683 3.699 + 9ALA CA 138 4.485 2.740 3.903 + 9ALA HA 139 4.405 2.799 3.948 + 9ALA CB 140 4.459 2.592 3.932 + 9ALA HB1 141 4.454 2.575 4.040 + 9ALA HB2 142 4.364 2.559 3.890 + 9ALA HB3 143 4.538 2.529 3.892 + 9ALA C 144 4.618 2.788 3.964 + 9ALA O 145 4.619 2.858 4.065 + 10ALA N 146 4.731 2.759 3.897 + 10ALA H 147 4.723 2.702 3.814 + 10ALA CA 148 4.864 2.803 3.937 + 10ALA HA 149 4.881 2.779 4.042 + 10ALA CB 150 4.967 2.730 3.850 + 10ALA HB1 151 5.069 2.754 3.880 + 10ALA HB2 152 4.955 2.622 3.861 + 10ALA HB3 153 4.957 2.754 3.744 + 10ALA C 154 4.884 2.955 3.917 + 10ALA O 155 4.950 3.020 3.998 + 11ALA N 156 4.825 3.012 3.811 + 11ALA H 157 4.775 2.951 3.747 + 11ALA CA 158 4.827 3.155 3.782 + 11ALA HA 159 4.930 3.188 3.784 + 11ALA CB 160 4.768 3.180 3.642 + 11ALA HB1 161 4.758 3.286 3.621 + 11ALA HB2 162 4.832 3.137 3.565 + 11ALA HB3 163 4.669 3.137 3.630 + 11ALA C 164 4.748 3.234 3.888 + 11ALA O 165 4.796 3.335 3.940 + 12MET N 166 4.629 3.186 3.925 + 12MET H 167 4.595 3.103 3.876 + 12MET CA 168 4.542 3.247 4.025 + 12MET HA 169 4.530 3.353 4.004 + 12MET CB 170 4.407 3.176 4.021 + 12MET HB1 171 4.422 3.068 4.017 + 12MET HB2 172 4.350 3.197 4.111 + 12MET CG 173 4.320 3.216 3.902 + 12MET HG1 174 4.306 3.324 3.901 + 12MET HG2 175 4.367 3.190 3.808 + 12MET SD 176 4.161 3.133 3.916 + 12MET CE 177 4.074 3.242 3.804 + 12MET HE1 178 3.971 3.211 3.789 + 12MET HE2 179 4.075 3.345 3.841 + 12MET HE3 180 4.127 3.238 3.708 + 12MET C 181 4.597 3.232 4.167 + 12MET O 182 4.582 3.324 4.248 + 13LYS N 183 4.665 3.120 4.196 + 13LYS H 184 4.665 3.045 4.127 + 13LYS CA 185 4.738 3.096 4.321 + 13LYS HA 186 4.667 3.106 4.404 + 13LYS CB 187 4.798 2.953 4.322 + 13LYS HB1 188 4.719 2.880 4.307 + 13LYS HB2 189 4.864 2.942 4.236 + 13LYS CG 190 4.879 2.918 4.450 + 13LYS HG1 191 4.964 2.856 4.422 + 13LYS HG2 192 4.923 3.007 4.494 + 13LYS CD 193 4.797 2.847 4.559 + 13LYS HD1 194 4.830 2.880 4.657 + 13LYS HD2 195 4.692 2.877 4.551 + 13LYS CE 196 4.811 2.694 4.554 + 13LYS HE1 197 4.819 2.662 4.451 + 13LYS HE2 198 4.902 2.662 4.604 + 13LYS NZ 199 4.696 2.629 4.619 + 13LYS HZ1 200 4.706 2.526 4.615 + 13LYS HZ2 201 4.690 2.654 4.717 + 13LYS HZ3 202 4.610 2.652 4.572 + 13LYS C 203 4.848 3.202 4.337 + 13LYS O 204 4.854 3.266 4.442 + 14ARG N 205 4.933 3.223 4.235 + 14ARG H 206 4.922 3.169 4.150 + 14ARG CA 207 5.046 3.315 4.248 + 14ARG HA 208 5.097 3.290 4.342 + 14ARG CB 209 5.149 3.298 4.134 + 14ARG HB1 210 5.246 3.326 4.176 + 14ARG HB2 211 5.159 3.192 4.111 + 14ARG CG 212 5.130 3.379 4.004 + 14ARG HG1 213 5.042 3.342 3.951 + 14ARG HG2 214 5.112 3.485 4.022 + 14ARG CD 215 5.252 3.367 3.912 + 14ARG HD1 216 5.244 3.438 3.829 + 14ARG HD2 217 5.343 3.394 3.966 + 14ARG NE 218 5.260 3.229 3.864 + 14ARG HE 219 5.291 3.160 3.933 + 14ARG CZ 220 5.212 3.182 3.749 + 14ARG NH1 221 5.181 3.261 3.646 + 14ARG HH11 222 5.196 3.362 3.647 + 14ARG HH12 223 5.139 3.223 3.563 + 14ARG NH2 224 5.191 3.052 3.737 + 14ARG HH21 225 5.214 2.990 3.814 + 14ARG HH22 226 5.148 3.013 3.652 + 14ARG C 227 5.001 3.462 4.259 + 14ARG O 228 5.073 3.542 4.318 + 15HIS N 229 4.883 3.496 4.207 + 15HIS H 230 4.829 3.426 4.157 + 15HIS CA 231 4.825 3.629 4.221 + 15HIS HA 232 4.903 3.705 4.226 + 15HIS CB 233 4.737 3.661 4.099 + 15HIS HB1 234 4.673 3.578 4.071 + 15HIS HB2 235 4.672 3.744 4.124 + 15HIS CG 236 4.814 3.712 3.979 + 15HIS ND1 237 4.843 3.634 3.867 + 15HIS CD2 238 4.864 3.838 3.959 + 15HIS HD2 239 4.861 3.927 4.020 + 15HIS CE1 240 4.905 3.716 3.783 + 15HIS HE1 241 4.937 3.690 3.683 + 15HIS NE2 242 4.919 3.838 3.833 + 15HIS HE2 243 4.947 3.920 3.776 + 15HIS C 244 4.743 3.645 4.351 + 15HIS O 245 4.699 3.755 4.381 + 16GLY N 246 4.724 3.540 4.432 + 16GLY H 247 4.765 3.450 4.408 + 16GLY CA 248 4.680 3.557 4.570 + 16GLY HA1 249 4.733 3.485 4.633 + 16GLY HA2 250 4.709 3.655 4.609 + 16GLY C 251 4.530 3.537 4.589 + 16GLY O 252 4.475 3.595 4.682 + 17LEU N 253 4.463 3.465 4.498 + 17LEU H 254 4.515 3.422 4.422 + 17LEU CA 255 4.319 3.443 4.505 + 17LEU HA 256 4.270 3.531 4.547 + 17LEU CB 257 4.261 3.420 4.363 + 17LEU HB1 258 4.320 3.344 4.312 + 17LEU HB2 259 4.161 3.377 4.372 + 17LEU CG 260 4.250 3.547 4.275 + 17LEU HG 261 4.349 3.590 4.263 + 17LEU CD1 262 4.197 3.508 4.136 + 17LEU HD11 263 4.177 3.596 4.075 + 17LEU HD12 264 4.268 3.446 4.084 + 17LEU HD13 265 4.103 3.452 4.143 + 17LEU CD2 266 4.158 3.654 4.337 + 17LEU HD21 267 4.137 3.735 4.267 + 17LEU HD22 268 4.061 3.612 4.363 + 17LEU HD23 269 4.200 3.699 4.426 + 17LEU C 270 4.279 3.324 4.595 + 17LEU O 271 4.164 3.321 4.638 + 18ASP N 272 4.369 3.229 4.627 + 18ASP H 273 4.465 3.241 4.597 + 18ASP CA 274 4.336 3.112 4.710 + 18ASP HA 275 4.246 3.067 4.669 + 18ASP CB 276 4.451 3.007 4.710 + 18ASP HB1 277 4.484 2.988 4.608 + 18ASP HB2 278 4.537 3.044 4.765 + 18ASP CG 279 4.414 2.873 4.774 + 18ASP OD1 280 4.293 2.843 4.780 + 18ASP OD2 281 4.507 2.799 4.812 + 18ASP C 282 4.309 3.158 4.854 + 18ASP O 283 4.404 3.192 4.926 + 19ASN N 284 4.180 3.162 4.891 + 19ASN H 285 4.112 3.143 4.818 + 19ASN CA 286 4.120 3.207 5.017 + 19ASN HA 287 4.025 3.153 5.022 + 19ASN CB 288 4.200 3.160 5.142 + 19ASN HB1 289 4.217 3.052 5.136 + 19ASN HB2 290 4.296 3.209 5.145 + 19ASN CG 291 4.130 3.187 5.275 + 19ASN OD1 292 4.022 3.136 5.300 + 19ASN ND2 293 4.188 3.275 5.357 + 19ASN HD21 294 4.273 3.323 5.334 + 19ASN HD22 295 4.126 3.317 5.427 + 19ASN C 296 4.077 3.355 5.014 + 19ASN O 297 4.031 3.408 5.115 + 20TYR N 298 4.088 3.426 4.900 + 20TYR H 299 4.120 3.379 4.816 + 20TYR CA 300 4.069 3.571 4.896 + 20TYR HA 301 4.130 3.614 4.976 + 20TYR CB 302 4.118 3.631 4.763 + 20TYR HB1 303 4.219 3.596 4.746 + 20TYR HB2 304 4.057 3.595 4.680 + 20TYR CG 305 4.121 3.783 4.764 + 20TYR CD1 306 4.232 3.851 4.819 + 20TYR HD1 307 4.319 3.794 4.852 + 20TYR CD2 308 4.008 3.857 4.723 + 20TYR HD2 309 3.922 3.805 4.684 + 20TYR CE1 310 4.228 3.990 4.837 + 20TYR HE1 311 4.312 4.041 4.883 + 20TYR CE2 312 4.004 3.996 4.742 + 20TYR HE2 313 3.915 4.052 4.715 + 20TYR CZ 314 4.113 4.063 4.801 + 20TYR OH 315 4.106 4.196 4.827 + 20TYR HH 316 4.052 4.242 4.763 + 20TYR C 317 3.922 3.609 4.921 + 20TYR O 318 3.834 3.569 4.845 + 21ARG N 319 3.898 3.679 5.032 + 21ARG H 320 3.979 3.701 5.090 + 21ARG CA 321 3.768 3.717 5.089 + 21ARG HA 322 3.791 3.769 5.181 + 21ARG CB 323 3.687 3.813 4.997 + 21ARG HB1 324 3.683 3.773 4.896 + 21ARG HB2 325 3.583 3.816 5.029 + 21ARG CG 326 3.740 3.958 4.991 + 21ARG HG1 327 3.840 3.959 4.950 + 21ARG HG2 328 3.679 4.013 4.920 + 21ARG CD 329 3.734 4.034 5.125 + 21ARG HD1 330 3.676 4.126 5.116 + 21ARG HD2 331 3.683 3.973 5.199 + 21ARG NE 332 3.869 4.061 5.177 + 21ARG HE 333 3.893 3.999 5.255 + 21ARG CZ 334 3.943 4.172 5.165 + 21ARG NH1 335 4.070 4.166 5.203 + 21ARG HH11 336 4.115 4.075 5.214 + 21ARG HH12 337 4.132 4.246 5.190 + 21ARG NH2 338 3.894 4.285 5.115 + 21ARG HH21 339 3.808 4.287 5.061 + 21ARG HH22 340 3.924 4.376 5.149 + 21ARG C 341 3.690 3.593 5.137 + 21ARG O 342 3.568 3.599 5.152 + 22GLY N 343 3.760 3.481 5.158 + 22GLY H 344 3.860 3.483 5.142 + 22GLY CA 345 3.708 3.355 5.208 + 22GLY HA1 346 3.785 3.309 5.271 + 22GLY HA2 347 3.621 3.368 5.271 + 22GLY C 348 3.675 3.257 5.096 + 22GLY O 349 3.605 3.159 5.120 + 23TYR N 350 3.719 3.282 4.973 + 23TYR H 351 3.772 3.366 4.956 + 23TYR CA 352 3.687 3.198 4.859 + 23TYR HA 353 3.607 3.127 4.880 + 23TYR CB 354 3.634 3.286 4.745 + 23TYR HB1 355 3.705 3.365 4.721 + 23TYR HB2 356 3.624 3.226 4.655 + 23TYR CG 357 3.498 3.345 4.779 + 23TYR CD1 358 3.383 3.263 4.774 + 23TYR HD1 359 3.391 3.159 4.747 + 23TYR CD2 360 3.486 3.480 4.818 + 23TYR HD2 361 3.574 3.543 4.823 + 23TYR CE1 362 3.256 3.318 4.802 + 23TYR HE1 363 3.168 3.256 4.794 + 23TYR CE2 364 3.360 3.535 4.846 + 23TYR HE2 365 3.352 3.639 4.872 + 23TYR CZ 366 3.244 3.454 4.836 + 23TYR OH 367 3.121 3.508 4.854 + 23TYR HH 368 3.108 3.542 4.942 + 23TYR C 369 3.812 3.119 4.821 + 23TYR O 370 3.910 3.178 4.772 + 24SER N 371 3.811 2.988 4.847 + 24SER H 372 3.728 2.948 4.890 + 24SER CA 373 3.914 2.891 4.809 + 24SER HA 374 4.007 2.918 4.859 + 24SER CB 375 3.870 2.752 4.859 + 24SER HB1 376 3.946 2.679 4.830 + 24SER HB2 377 3.864 2.749 4.968 + 24SER OG 378 3.747 2.709 4.802 + 24SER HG 379 3.736 2.616 4.824 + 24SER C 380 3.937 2.891 4.657 + 24SER O 381 3.844 2.918 4.581 + 25LEU N 382 4.060 2.860 4.613 + 25LEU H 383 4.133 2.841 4.683 + 25LEU CA 384 4.105 2.862 4.473 + 25LEU HA 385 4.112 2.968 4.447 + 25LEU CB 386 4.245 2.801 4.465 + 25LEU HB1 387 4.309 2.854 4.534 + 25LEU HB2 388 4.240 2.697 4.501 + 25LEU CG 389 4.316 2.807 4.329 + 25LEU HG 390 4.255 2.756 4.254 + 25LEU CD1 391 4.337 2.952 4.284 + 25LEU HD11 392 4.394 2.953 4.192 + 25LEU HD12 393 4.242 3.002 4.263 + 25LEU HD13 394 4.390 3.011 4.358 + 25LEU CD2 395 4.450 2.733 4.339 + 25LEU HD21 396 4.499 2.728 4.241 + 25LEU HD22 397 4.517 2.784 4.407 + 25LEU HD23 398 4.436 2.631 4.373 + 25LEU C 399 4.009 2.797 4.372 + 25LEU O 400 3.989 2.850 4.262 + 26GLY N 401 3.949 2.684 4.410 + 26GLY H 402 3.973 2.646 4.501 + 26GLY CA 403 3.852 2.609 4.333 + 26GLY HA1 404 3.900 2.563 4.247 + 26GLY HA2 405 3.816 2.529 4.397 + 26GLY C 406 3.731 2.690 4.286 + 26GLY O 407 3.686 2.671 4.173 + 27ASN N 408 3.684 2.784 4.370 + 27ASN H 409 3.734 2.799 4.457 + 27ASN CA 410 3.573 2.875 4.338 + 27ASN HA 411 3.485 2.816 4.313 + 27ASN CB 412 3.541 2.967 4.458 + 27ASN HB1 413 3.629 3.019 4.495 + 27ASN HB2 414 3.475 3.046 4.422 + 27ASN CG 415 3.464 2.901 4.570 + 27ASN OD1 416 3.344 2.878 4.557 + 27ASN ND2 417 3.531 2.870 4.681 + 27ASN HD21 418 3.632 2.878 4.686 + 27ASN HD22 419 3.484 2.832 4.762 + 27ASN C 420 3.607 2.963 4.218 + 27ASN O 421 3.529 2.972 4.123 + 28TRP N 422 3.727 3.021 4.219 + 28TRP H 423 3.787 3.002 4.298 + 28TRP CA 424 3.779 3.112 4.117 + 28TRP HA 425 3.707 3.192 4.102 + 28TRP CB 426 3.911 3.173 4.169 + 28TRP HB1 427 3.985 3.095 4.187 + 28TRP HB2 428 3.954 3.237 4.092 + 28TRP CG 429 3.897 3.256 4.292 + 28TRP CD1 430 3.917 3.217 4.419 + 28TRP HD1 431 3.948 3.118 4.449 + 28TRP CD2 432 3.858 3.396 4.299 + 28TRP NE1 433 3.892 3.322 4.505 + 28TRP HE1 434 3.908 3.312 4.605 + 28TRP CE2 435 3.853 3.435 4.437 + 28TRP CE3 436 3.825 3.493 4.202 + 28TRP HE3 437 3.824 3.466 4.098 + 28TRP CZ2 438 3.815 3.565 4.476 + 28TRP HZ2 439 3.809 3.591 4.581 + 28TRP CZ3 440 3.792 3.624 4.241 + 28TRP HZ3 441 3.762 3.695 4.165 + 28TRP CH2 442 3.785 3.660 4.377 + 28TRP HH2 443 3.752 3.759 4.402 + 28TRP C 444 3.802 3.041 3.983 + 28TRP O 445 3.766 3.094 3.878 + 29VAL N 446 3.857 2.919 3.987 + 29VAL H 447 3.885 2.882 4.078 + 29VAL CA 448 3.877 2.835 3.869 + 29VAL HA 449 3.925 2.896 3.792 + 29VAL CB 450 3.970 2.715 3.902 + 29VAL HB 451 3.925 2.659 3.984 + 29VAL CG1 452 3.989 2.618 3.783 + 29VAL HG11 453 4.057 2.536 3.809 + 29VAL HG12 454 3.895 2.572 3.752 + 29VAL HG13 455 4.030 2.669 3.696 + 29VAL CG2 456 4.109 2.762 3.948 + 29VAL HG21 457 4.172 2.678 3.976 + 29VAL HG22 458 4.160 2.818 3.870 + 29VAL HG23 459 4.103 2.828 4.035 + 29VAL C 460 3.741 2.788 3.813 + 29VAL O 461 3.720 2.793 3.692 + 30CYS N 462 3.646 2.748 3.899 + 30CYS H 463 3.668 2.744 3.998 + 30CYS CA 464 3.511 2.711 3.858 + 30CYS HA 465 3.518 2.629 3.786 + 30CYS CB 466 3.430 2.662 3.979 + 30CYS HB1 467 3.485 2.585 4.031 + 30CYS HB2 468 3.416 2.742 4.052 + 30CYS SG 469 3.268 2.595 3.935 + 30CYS C 470 3.440 2.829 3.789 + 30CYS O 471 3.384 2.814 3.680 + 31ALA N 472 3.448 2.948 3.849 + 31ALA H 473 3.494 2.953 3.940 + 31ALA CA 474 3.388 3.071 3.798 + 31ALA HA 475 3.280 3.054 3.789 + 31ALA CB 476 3.411 3.182 3.901 + 31ALA HB1 477 3.345 3.266 3.881 + 31ALA HB2 478 3.387 3.149 4.001 + 31ALA HB3 479 3.514 3.219 3.901 + 31ALA C 480 3.444 3.107 3.660 + 31ALA O 481 3.368 3.126 3.565 + 32ALA N 482 3.577 3.104 3.643 + 32ALA H 483 3.634 3.086 3.725 + 32ALA CA 484 3.645 3.128 3.515 + 32ALA HA 485 3.617 3.226 3.479 + 32ALA CB 486 3.796 3.123 3.538 + 32ALA HB1 487 3.849 3.138 3.444 + 32ALA HB2 488 3.828 3.200 3.607 + 32ALA HB3 489 3.827 3.026 3.578 + 32ALA C 490 3.609 3.025 3.407 + 32ALA O 491 3.604 3.060 3.288 + 33LYS N 492 3.581 2.900 3.445 + 33LYS H 493 3.586 2.878 3.544 + 33LYS CA 494 3.537 2.796 3.354 + 33LYS HA 495 3.607 2.794 3.270 + 33LYS CB 496 3.539 2.658 3.424 + 33LYS HB1 497 3.639 2.634 3.461 + 33LYS HB2 498 3.478 2.662 3.514 + 33LYS CG 499 3.485 2.543 3.339 + 33LYS HG1 500 3.478 2.454 3.400 + 33LYS HG2 501 3.383 2.568 3.314 + 33LYS CD 502 3.560 2.508 3.209 + 33LYS HD1 503 3.584 2.598 3.153 + 33LYS HD2 504 3.655 2.461 3.234 + 33LYS CE 505 3.474 2.415 3.121 + 33LYS HE1 506 3.433 2.333 3.179 + 33LYS HE2 507 3.389 2.472 3.083 + 33LYS NZ 508 3.545 2.358 3.005 + 33LYS HZ1 509 3.486 2.289 2.961 + 33LYS HZ2 510 3.555 2.435 2.939 + 33LYS HZ3 511 3.637 2.322 3.027 + 33LYS C 512 3.397 2.827 3.299 + 33LYS O 513 3.376 2.819 3.179 + 34PHE N 514 3.299 2.857 3.385 + 34PHE H 515 3.320 2.863 3.485 + 34PHE CA 516 3.161 2.872 3.340 + 34PHE HA 517 3.142 2.807 3.254 + 34PHE CB 518 3.064 2.830 3.451 + 34PHE HB1 519 3.084 2.884 3.544 + 34PHE HB2 520 2.963 2.855 3.421 + 34PHE CG 521 3.060 2.680 3.477 + 34PHE CD1 522 2.990 2.595 3.389 + 34PHE HD1 523 2.941 2.636 3.301 + 34PHE CD2 524 3.123 2.625 3.590 + 34PHE HD2 525 3.174 2.689 3.660 + 34PHE CE1 526 2.980 2.457 3.416 + 34PHE HE1 527 2.926 2.392 3.348 + 34PHE CE2 528 3.117 2.487 3.615 + 34PHE HE2 529 3.165 2.447 3.704 + 34PHE CZ 530 3.045 2.402 3.528 + 34PHE HZ 531 3.040 2.297 3.550 + 34PHE C 532 3.130 3.015 3.291 + 34PHE O 533 3.030 3.032 3.221 + 35GLU N 534 3.214 3.115 3.319 + 35GLU H 535 3.288 3.100 3.387 + 35GLU CA 536 3.199 3.250 3.264 + 35GLU HA 537 3.093 3.276 3.254 + 35GLU CB 538 3.268 3.354 3.356 + 35GLU HB1 539 3.370 3.323 3.377 + 35GLU HB2 540 3.277 3.448 3.303 + 35GLU CG 541 3.195 3.385 3.490 + 35GLU HG1 542 3.192 3.298 3.554 + 35GLU HG2 543 3.253 3.461 3.542 + 35GLU CD 544 3.053 3.442 3.482 + 35GLU OE1 545 3.014 3.488 3.374 + 35GLU OE2 546 2.982 3.436 3.586 + 35GLU C 547 3.263 3.259 3.123 + 35GLU O 548 3.199 3.312 3.032 + 36SER N 549 3.385 3.207 3.100 + 36SER H 550 3.436 3.165 3.177 + 36SER CA 551 3.460 3.228 2.975 + 36SER HA 552 3.396 3.276 2.900 + 36SER CB 553 3.576 3.325 3.003 + 36SER HB1 554 3.622 3.356 2.909 + 36SER HB2 555 3.542 3.416 3.052 + 36SER OG 556 3.676 3.261 3.082 + 36SER HG 557 3.665 3.290 3.172 + 36SER C 558 3.513 3.101 2.906 + 36SER O 559 3.571 3.110 2.797 + 37ASN N 560 3.506 2.986 2.974 + 37ASN H 561 3.453 2.986 3.060 + 37ASN CA 562 3.565 2.858 2.932 + 37ASN HA 563 3.540 2.787 3.010 + 37ASN CB 564 3.504 2.809 2.799 + 37ASN HB1 565 3.397 2.829 2.801 + 37ASN HB2 566 3.545 2.863 2.715 + 37ASN CG 567 3.518 2.658 2.777 + 37ASN OD1 568 3.547 2.582 2.868 + 37ASN ND2 569 3.497 2.613 2.654 + 37ASN HD21 570 3.496 2.682 2.577 + 37ASN HD22 571 3.508 2.515 2.630 + 37ASN C 572 3.719 2.862 2.934 + 37ASN O 573 3.786 2.790 2.860 + 38PHE N 574 3.775 2.949 3.021 + 38PHE H 575 3.711 3.007 3.073 + 38PHE CA 576 3.918 2.973 3.044 + 38PHE HA 577 3.923 3.034 3.134 + 38PHE CB 578 3.998 2.842 3.068 + 38PHE HB1 579 4.003 2.783 2.977 + 38PHE HB2 580 4.101 2.868 3.090 + 38PHE CG 581 3.954 2.755 3.184 + 38PHE CD1 582 3.914 2.812 3.306 + 38PHE HD1 583 3.906 2.919 3.318 + 38PHE CD2 584 3.961 2.615 3.173 + 38PHE HD2 585 3.995 2.571 3.080 + 38PHE CE1 586 3.886 2.730 3.416 + 38PHE HE1 587 3.859 2.776 3.510 + 38PHE CE2 588 3.927 2.532 3.282 + 38PHE HE2 589 3.930 2.425 3.271 + 38PHE CZ 590 3.891 2.590 3.405 + 38PHE HZ 591 3.866 2.528 3.490 + 38PHE C 592 3.982 3.062 2.937 + 38PHE O 593 4.104 3.064 2.923 + 39ASN N 594 3.899 3.134 2.859 + 39ASN H 595 3.801 3.137 2.883 + 39ASN CA 596 3.942 3.211 2.743 + 39ASN HA 597 4.035 3.172 2.703 + 39ASN CB 598 3.832 3.201 2.635 + 39ASN HB1 599 3.793 3.099 2.635 + 39ASN HB2 600 3.746 3.266 2.656 + 39ASN CG 601 3.885 3.231 2.495 + 39ASN OD1 602 3.964 3.323 2.475 + 39ASN ND2 603 3.849 3.148 2.398 + 39ASN HD21 604 3.780 3.076 2.415 + 39ASN HD22 605 3.892 3.155 2.306 + 39ASN C 606 3.957 3.357 2.786 + 39ASN O 607 3.860 3.422 2.826 + 40THR N 608 4.079 3.411 2.775 + 40THR H 609 4.154 3.354 2.736 + 40THR CA 610 4.110 3.548 2.811 + 40THR HA 611 4.069 3.570 2.909 + 40THR CB 612 4.264 3.566 2.816 + 40THR HB 613 4.280 3.668 2.849 + 40THR OG1 614 4.330 3.551 2.690 + 40THR HG1 615 4.351 3.639 2.658 + 40THR CG2 616 4.333 3.475 2.918 + 40THR HG21 617 4.438 3.502 2.928 + 40THR HG22 618 4.287 3.484 3.016 + 40THR HG23 619 4.327 3.370 2.888 + 40THR C 620 4.050 3.651 2.714 + 40THR O 621 4.041 3.768 2.748 + 41GLN N 622 4.010 3.608 2.593 + 41GLN H 623 4.013 3.509 2.574 + 41GLN CA 624 3.961 3.696 2.488 + 41GLN HA 625 3.998 3.798 2.500 + 41GLN CB 626 4.009 3.638 2.354 + 41GLN HB1 627 3.992 3.530 2.350 + 41GLN HB2 628 3.949 3.677 2.271 + 41GLN CG 629 4.157 3.669 2.329 + 41GLN HG1 630 4.215 3.665 2.421 + 41GLN HG2 631 4.199 3.593 2.262 + 41GLN CD 632 4.171 3.804 2.259 + 41GLN OE1 633 4.123 3.821 2.148 + 41GLN NE2 634 4.234 3.903 2.322 + 41GLN HE21 635 4.261 3.898 2.419 + 41GLN HE22 636 4.244 3.990 2.271 + 41GLN C 637 3.808 3.703 2.486 + 41GLN O 638 3.754 3.777 2.404 + 42ALA N 639 3.736 3.629 2.571 + 42ALA H 640 3.786 3.574 2.640 + 42ALA CA 641 3.590 3.623 2.574 + 42ALA HA 642 3.556 3.578 2.480 + 42ALA CB 643 3.546 3.531 2.689 + 42ALA HB1 644 3.438 3.527 2.697 + 42ALA HB2 645 3.581 3.429 2.673 + 42ALA HB3 646 3.586 3.565 2.785 + 42ALA C 647 3.525 3.762 2.589 + 42ALA O 648 3.557 3.834 2.683 + 43THR N 649 3.433 3.796 2.498 + 43THR H 650 3.410 3.733 2.423 + 43THR CA 651 3.346 3.911 2.508 + 43THR HA 652 3.350 3.946 2.611 + 43THR CB 653 3.391 4.032 2.421 + 43THR HB 654 3.323 4.115 2.444 + 43THR OG1 655 3.383 4.014 2.281 + 43THR HG1 656 3.296 4.043 2.253 + 43THR CG2 657 3.532 4.082 2.454 + 43THR HG21 658 3.557 4.172 2.398 + 43THR HG22 659 3.539 4.107 2.560 + 43THR HG23 660 3.608 4.007 2.432 + 43THR C 661 3.202 3.862 2.489 + 43THR O 662 3.177 3.766 2.415 + 44ASN N 663 3.108 3.926 2.559 + 44ASN H 664 3.137 3.997 2.626 + 44ASN CA 665 2.965 3.904 2.551 + 44ASN HA 666 2.939 3.861 2.454 + 44ASN CB 667 2.920 3.808 2.663 + 44ASN HB1 668 2.963 3.709 2.648 + 44ASN HB2 669 2.956 3.844 2.760 + 44ASN CG 670 2.768 3.796 2.669 + 44ASN OD1 671 2.708 3.727 2.587 + 44ASN ND2 672 2.703 3.865 2.762 + 44ASN HD21 673 2.754 3.914 2.836 + 44ASN HD22 674 2.603 3.874 2.756 + 44ASN C 675 2.901 4.042 2.563 + 44ASN O 676 2.930 4.112 2.660 + 45ARG N 677 2.816 4.080 2.468 + 45ARG H 678 2.801 4.017 2.389 + 45ARG CA 679 2.733 4.199 2.474 + 45ARG HA 680 2.787 4.280 2.522 + 45ARG CB 681 2.696 4.236 2.329 + 45ARG HB1 682 2.788 4.262 2.275 + 45ARG HB2 683 2.656 4.147 2.279 + 45ARG CG 684 2.594 4.349 2.311 + 45ARG HG1 685 2.565 4.349 2.206 + 45ARG HG2 686 2.500 4.328 2.364 + 45ARG CD 687 2.648 4.487 2.350 + 45ARG HD1 688 2.569 4.550 2.390 + 45ARG HD2 689 2.722 4.480 2.430 + 45ARG NE 690 2.708 4.548 2.231 + 45ARG HE 691 2.809 4.546 2.234 + 45ARG CZ 692 2.639 4.587 2.122 + 45ARG NH1 693 2.506 4.599 2.125 + 45ARG HH11 694 2.454 4.608 2.215 + 45ARG HH12 695 2.450 4.615 2.043 + 45ARG NH2 696 2.701 4.617 2.008 + 45ARG HH21 697 2.802 4.602 1.990 + 45ARG HH22 698 2.653 4.653 1.927 + 45ARG C 699 2.603 4.170 2.552 + 45ARG O 700 2.546 4.061 2.539 + 46ASN N 701 2.553 4.270 2.624 + 46ASN H 702 2.610 4.354 2.637 + 46ASN CA 703 2.430 4.266 2.703 + 46ASN HA 704 2.385 4.166 2.697 + 46ASN CB 705 2.460 4.297 2.852 + 46ASN HB1 706 2.482 4.403 2.862 + 46ASN HB2 707 2.373 4.277 2.914 + 46ASN CG 708 2.581 4.222 2.910 + 46ASN OD1 709 2.686 4.283 2.928 + 46ASN ND2 710 2.572 4.093 2.942 + 46ASN HD21 711 2.489 4.037 2.931 + 46ASN HD22 712 2.658 4.052 2.982 + 46ASN C 713 2.328 4.368 2.648 + 46ASN O 714 2.363 4.462 2.576 + 47THR N 715 2.199 4.350 2.683 + 47THR H 716 2.176 4.270 2.740 + 47THR CA 717 2.086 4.433 2.640 + 47THR HA 718 2.081 4.427 2.531 + 47THR CB 719 1.954 4.374 2.697 + 47THR HB 720 1.872 4.441 2.668 + 47THR OG1 721 1.956 4.368 2.838 + 47THR HG1 722 1.867 4.356 2.869 + 47THR CG2 723 1.919 4.234 2.648 + 47THR HG21 724 1.818 4.205 2.677 + 47THR HG22 725 1.926 4.225 2.540 + 47THR HG23 726 1.985 4.161 2.694 + 47THR C 727 2.099 4.583 2.676 + 47THR O 728 2.056 4.668 2.598 + 48ASP N 729 2.161 4.615 2.791 + 48ASP H 730 2.201 4.540 2.846 + 48ASP CA 731 2.172 4.750 2.848 + 48ASP HA 732 2.081 4.805 2.824 + 48ASP CB 733 2.183 4.741 3.003 + 48ASP HB1 734 2.168 4.840 3.044 + 48ASP HB2 735 2.101 4.680 3.042 + 48ASP CG 736 2.313 4.688 3.064 + 48ASP OD1 737 2.397 4.633 2.990 + 48ASP OD2 738 2.326 4.700 3.188 + 48ASP C 739 2.290 4.831 2.790 + 48ASP O 740 2.313 4.945 2.830 + 49GLY N 741 2.366 4.773 2.696 + 49GLY H 742 2.349 4.675 2.677 + 49GLY CA 743 2.473 4.841 2.623 + 49GLY HA1 744 2.467 4.815 2.517 + 49GLY HA2 745 2.463 4.949 2.628 + 49GLY C 746 2.611 4.801 2.674 + 49GLY O 747 2.711 4.833 2.609 + 50SER N 748 2.618 4.735 2.789 + 50SER H 749 2.533 4.704 2.836 + 50SER CA 750 2.743 4.688 2.845 + 50SER HA 751 2.818 4.765 2.830 + 50SER CB 752 2.726 4.670 2.998 + 50SER HB1 753 2.824 4.656 3.043 + 50SER HB2 754 2.687 4.763 3.039 + 50SER OG 755 2.641 4.565 3.041 + 50SER HG 756 2.549 4.587 3.017 + 50SER C 757 2.792 4.562 2.770 + 50SER O 758 2.716 4.496 2.698 + 51THR N 759 2.921 4.537 2.783 + 51THR H 760 2.976 4.594 2.846 + 51THR CA 761 2.989 4.417 2.737 + 51THR HA 762 2.914 4.344 2.707 + 51THR CB 763 3.080 4.451 2.615 + 51THR HB 764 3.147 4.532 2.644 + 51THR OG1 765 3.007 4.498 2.503 + 51THR HG1 766 2.988 4.591 2.521 + 51THR CG2 767 3.166 4.333 2.565 + 51THR HG21 768 3.230 4.364 2.483 + 51THR HG22 769 3.231 4.294 2.643 + 51THR HG23 770 3.104 4.251 2.529 + 51THR C 771 3.064 4.363 2.859 + 51THR O 772 3.121 4.439 2.938 + 52ASP N 773 3.064 4.231 2.875 + 52ASP H 774 3.010 4.177 2.807 + 52ASP CA 775 3.137 4.155 2.976 + 52ASP HA 776 3.155 4.216 3.065 + 52ASP CB 777 3.055 4.030 3.014 + 52ASP HB1 778 3.038 3.968 2.927 + 52ASP HB2 779 3.113 3.970 3.083 + 52ASP CG 780 2.921 4.059 3.082 + 52ASP OD1 781 2.922 4.138 3.179 + 52ASP OD2 782 2.819 4.002 3.036 + 52ASP C 783 3.269 4.111 2.912 + 52ASP O 784 3.268 4.057 2.802 + 53TYR N 785 3.383 4.139 2.977 + 53TYR H 786 3.376 4.190 3.065 + 53TYR CA 787 3.517 4.124 2.919 + 53TYR HA 788 3.511 4.091 2.815 + 53TYR CB 789 3.589 4.261 2.919 + 53TYR HB1 790 3.587 4.305 3.019 + 53TYR HB2 791 3.695 4.247 2.896 + 53TYR CG 792 3.533 4.360 2.819 + 53TYR CD1 793 3.587 4.368 2.689 + 53TYR HD1 794 3.668 4.303 2.660 + 53TYR CD2 795 3.428 4.445 2.857 + 53TYR HD2 796 3.385 4.439 2.956 + 53TYR CE1 797 3.537 4.462 2.598 + 53TYR HE1 798 3.580 4.468 2.499 + 53TYR CE2 799 3.379 4.539 2.765 + 53TYR HE2 800 3.297 4.603 2.793 + 53TYR CZ 801 3.433 4.549 2.636 + 53TYR OH 802 3.385 4.643 2.549 + 53TYR HH 803 3.318 4.700 2.591 + 53TYR C 804 3.605 4.025 2.996 + 53TYR O 805 3.632 4.041 3.115 + 54GLY N 806 3.658 3.926 2.924 + 54GLY H 807 3.622 3.909 2.830 + 54GLY CA 808 3.777 3.852 2.960 + 54GLY HA1 809 3.829 3.826 2.868 + 54GLY HA2 810 3.845 3.913 3.019 + 54GLY C 811 3.744 3.722 3.032 + 54GLY O 812 3.628 3.679 3.035 + 55ILE N 813 3.846 3.663 3.096 + 55ILE H 814 3.938 3.706 3.088 + 55ILE CA 815 3.840 3.534 3.162 + 55ILE HA 816 3.806 3.466 3.084 + 55ILE CB 817 3.983 3.490 3.204 + 55ILE HB 818 4.046 3.501 3.116 + 55ILE CG1 819 3.985 3.340 3.239 + 55ILE HG11 820 3.941 3.323 3.337 + 55ILE HG12 821 3.922 3.286 3.169 + 55ILE CG2 822 4.045 3.579 3.314 + 55ILE HG21 823 4.143 3.542 3.345 + 55ILE HG22 824 4.056 3.682 3.283 + 55ILE HG23 825 3.982 3.582 3.402 + 55ILE CD 826 4.124 3.275 3.232 + 55ILE HD1 827 4.117 3.169 3.254 + 55ILE HD2 828 4.167 3.285 3.133 + 55ILE HD3 829 4.192 3.320 3.304 + 55ILE C 830 3.737 3.527 3.279 + 55ILE O 831 3.683 3.420 3.306 + 56LEU N 832 3.710 3.639 3.346 + 56LEU H 833 3.760 3.724 3.320 + 56LEU CA 834 3.609 3.651 3.451 + 56LEU HA 835 3.561 3.555 3.470 + 56LEU CB 836 3.672 3.702 3.584 + 56LEU HB1 837 3.723 3.797 3.564 + 56LEU HB2 838 3.595 3.726 3.657 + 56LEU CG 839 3.770 3.605 3.651 + 56LEU HG 840 3.845 3.581 3.577 + 56LEU CD1 841 3.840 3.671 3.771 + 56LEU HD11 842 3.910 3.602 3.819 + 56LEU HD12 843 3.897 3.759 3.741 + 56LEU HD13 844 3.768 3.702 3.846 + 56LEU CD2 845 3.705 3.474 3.698 + 56LEU HD21 846 3.777 3.404 3.739 + 56LEU HD22 847 3.634 3.495 3.778 + 56LEU HD23 848 3.651 3.422 3.619 + 56LEU C 849 3.493 3.742 3.409 + 56LEU O 850 3.419 3.785 3.498 + 57GLN N 851 3.476 3.773 3.280 + 57GLN H 852 3.542 3.733 3.214 + 57GLN CA 853 3.358 3.840 3.220 + 57GLN HA 854 3.387 3.878 3.123 + 57GLN CB 855 3.244 3.736 3.204 + 57GLN HB1 856 3.227 3.685 3.298 + 57GLN HB2 857 3.149 3.785 3.183 + 57GLN CG 858 3.269 3.633 3.092 + 57GLN HG1 859 3.362 3.578 3.110 + 57GLN HG2 860 3.189 3.560 3.095 + 57GLN CD 861 3.269 3.695 2.953 + 57GLN OE1 862 3.166 3.709 2.888 + 57GLN NE2 863 3.386 3.733 2.903 + 57GLN HE21 864 3.473 3.716 2.953 + 57GLN HE22 865 3.388 3.781 2.814 + 57GLN C 866 3.314 3.965 3.299 + 57GLN O 867 3.200 3.977 3.343 + 58ILE N 868 3.410 4.055 3.323 + 58ILE H 869 3.497 4.045 3.273 + 58ILE CA 870 3.390 4.174 3.405 + 58ILE HA 871 3.328 4.149 3.491 + 58ILE CB 872 3.529 4.223 3.455 + 58ILE HB 873 3.596 4.216 3.370 + 58ILE CG1 874 3.581 4.127 3.565 + 58ILE HG11 875 3.522 4.141 3.656 + 58ILE HG12 876 3.565 4.024 3.536 + 58ILE CG2 877 3.529 4.369 3.505 + 58ILE HG21 878 3.627 4.400 3.538 + 58ILE HG22 879 3.501 4.440 3.427 + 58ILE HG23 880 3.459 4.381 3.588 + 58ILE CD 881 3.730 4.144 3.598 + 58ILE HD1 882 3.760 4.075 3.677 + 58ILE HD2 883 3.793 4.126 3.511 + 58ILE HD3 884 3.751 4.244 3.635 + 58ILE C 885 3.318 4.279 3.319 + 58ILE O 886 3.361 4.307 3.207 + 59ASN N 887 3.209 4.333 3.373 + 59ASN H 888 3.179 4.299 3.464 + 59ASN CA 889 3.112 4.414 3.301 + 59ASN HA 890 3.101 4.375 3.200 + 59ASN CB 891 2.978 4.404 3.375 + 59ASN HB1 892 2.952 4.299 3.392 + 59ASN HB2 893 2.983 4.451 3.473 + 59ASN CG 894 2.866 4.466 3.293 + 59ASN OD1 895 2.824 4.577 3.322 + 59ASN ND2 896 2.821 4.397 3.189 + 59ASN HD21 897 2.855 4.300 3.172 + 59ASN HD22 898 2.754 4.436 3.122 + 59ASN C 899 3.154 4.562 3.295 + 59ASN O 900 3.194 4.623 3.395 + 60SER N 901 3.138 4.622 3.177 + 60SER H 902 3.107 4.567 3.097 + 60SER CA 903 3.173 4.760 3.147 + 60SER HA 904 3.270 4.780 3.193 + 60SER CB 905 3.191 4.772 2.995 + 60SER HB1 906 3.219 4.874 2.967 + 60SER HB2 907 3.275 4.709 2.966 + 60SER OG 908 3.078 4.734 2.919 + 60SER HG 909 3.092 4.772 2.832 + 60SER C 910 3.074 4.866 3.199 + 60SER O 911 3.102 4.985 3.185 + 61ARG N 912 2.963 4.831 3.264 + 61ARG H 913 2.936 4.733 3.270 + 61ARG CA 914 2.875 4.932 3.323 + 61ARG HA 915 2.867 5.019 3.258 + 61ARG CB 916 2.734 4.874 3.343 + 61ARG HB1 917 2.702 4.823 3.253 + 61ARG HB2 918 2.736 4.799 3.422 + 61ARG CG 919 2.629 4.981 3.378 + 61ARG HG1 920 2.659 5.040 3.465 + 61ARG HG2 921 2.619 5.051 3.295 + 61ARG CD 922 2.496 4.913 3.406 + 61ARG HD1 923 2.471 4.852 3.320 + 61ARG HD2 924 2.506 4.845 3.491 + 61ARG NE 925 2.389 5.008 3.434 + 61ARG HE 926 2.419 5.095 3.476 + 61ARG CZ 927 2.259 4.979 3.418 + 61ARG NH1 928 2.219 4.864 3.364 + 61ARG HH11 929 2.280 4.805 3.303 + 61ARG HH12 930 2.127 4.826 3.378 + 61ARG NH2 931 2.167 5.065 3.460 + 61ARG HH21 932 2.189 5.151 3.512 + 61ARG HH22 933 2.071 5.038 3.471 + 61ARG C 934 2.927 4.978 3.460 + 61ARG O 935 2.910 5.094 3.496 + 62TRP N 936 2.992 4.889 3.536 + 62TRP H 937 2.998 4.794 3.502 + 62TRP CA 938 3.035 4.917 3.673 + 62TRP HA 939 2.994 5.012 3.708 + 62TRP CB 940 2.980 4.808 3.767 + 62TRP HB1 941 3.027 4.713 3.745 + 62TRP HB2 942 3.005 4.832 3.871 + 62TRP CG 943 2.832 4.789 3.758 + 62TRP CD1 944 2.769 4.684 3.702 + 62TRP HD1 945 2.819 4.597 3.661 + 62TRP CD2 946 2.727 4.880 3.802 + 62TRP NE1 947 2.632 4.705 3.705 + 62TRP HE1 948 2.567 4.636 3.670 + 62TRP CE2 949 2.600 4.826 3.765 + 62TRP CE3 950 2.726 5.003 3.872 + 62TRP HE3 951 2.820 5.045 3.905 + 62TRP CZ2 952 2.479 4.892 3.792 + 62TRP HZ2 953 2.385 4.850 3.762 + 62TRP CZ3 954 2.606 5.068 3.904 + 62TRP HZ3 955 2.611 5.157 3.963 + 62TRP CH2 956 2.482 5.014 3.862 + 62TRP HH2 957 2.389 5.063 3.887 + 62TRP C 958 3.187 4.924 3.686 + 62TRP O 959 3.239 5.010 3.758 + 63TRP N 960 3.261 4.838 3.615 + 63TRP H 961 3.214 4.772 3.555 + 63TRP CA 962 3.396 4.803 3.658 + 63TRP HA 963 3.416 4.843 3.757 + 63TRP CB 964 3.404 4.650 3.671 + 63TRP HB1 965 3.384 4.603 3.575 + 63TRP HB2 966 3.504 4.620 3.701 + 63TRP CG 967 3.307 4.597 3.773 + 63TRP CD1 968 3.202 4.514 3.748 + 63TRP HD1 969 3.179 4.472 3.652 + 63TRP CD2 970 3.298 4.633 3.914 + 63TRP NE1 971 3.128 4.499 3.864 + 63TRP HE1 972 3.043 4.443 3.869 + 63TRP CE2 973 3.182 4.572 3.969 + 63TRP CE3 974 3.378 4.710 4.001 + 63TRP HE3 975 3.468 4.757 3.964 + 63TRP CZ2 976 3.146 4.589 4.104 + 63TRP HZ2 977 3.058 4.543 4.145 + 63TRP CZ3 978 3.343 4.728 4.136 + 63TRP HZ3 979 3.404 4.789 4.201 + 63TRP CH2 980 3.227 4.668 4.187 + 63TRP HH2 981 3.199 4.683 4.291 + 63TRP C 982 3.506 4.859 3.569 + 63TRP O 983 3.598 4.922 3.622 + 64CYS N 984 3.500 4.842 3.437 + 64CYS H 985 3.419 4.796 3.397 + 64CYS CA 986 3.603 4.888 3.344 + 64CYS HA 987 3.683 4.939 3.396 + 64CYS CB 988 3.664 4.766 3.274 + 64CYS HB1 989 3.747 4.798 3.211 + 64CYS HB2 990 3.708 4.702 3.350 + 64CYS SG 991 3.551 4.664 3.175 + 64CYS C 992 3.540 4.986 3.244 + 64CYS O 993 3.420 4.981 3.224 + 65ASN N 994 3.618 5.076 3.183 + 65ASN H 995 3.717 5.076 3.207 + 65ASN CA 996 3.573 5.167 3.076 + 65ASN HA 997 3.467 5.186 3.084 + 65ASN CB 998 3.647 5.301 3.090 + 65ASN HB1 999 3.626 5.343 3.189 + 65ASN HB2 1000 3.755 5.288 3.084 + 65ASN CG 1001 3.600 5.406 2.989 + 65ASN OD1 1002 3.481 5.434 2.977 + 65ASN ND2 1003 3.690 5.467 2.914 + 65ASN HD21 1004 3.789 5.443 2.922 + 65ASN HD22 1005 3.663 5.539 2.849 + 65ASN C 1006 3.602 5.105 2.938 + 65ASN O 1007 3.715 5.068 2.911 + 66ASP N 1008 3.502 5.100 2.851 + 66ASP H 1009 3.407 5.123 2.884 + 66ASP CA 1010 3.513 5.065 2.709 + 66ASP HA 1011 3.617 5.042 2.686 + 66ASP CB 1012 3.431 4.938 2.675 + 66ASP HB1 1013 3.459 4.907 2.574 + 66ASP HB2 1014 3.463 4.857 2.740 + 66ASP CG 1015 3.277 4.941 2.676 + 66ASP OD1 1016 3.213 5.048 2.683 + 66ASP OD2 1017 3.221 4.829 2.666 + 66ASP C 1018 3.478 5.184 2.619 + 66ASP O 1019 3.510 5.181 2.500 + 67GLY N 1020 3.415 5.289 2.674 + 67GLY H 1021 3.386 5.279 2.770 + 67GLY CA 1022 3.394 5.417 2.608 + 67GLY HA1 1023 3.407 5.496 2.681 + 67GLY HA2 1024 3.468 5.434 2.529 + 67GLY C 1025 3.255 5.430 2.547 + 67GLY O 1026 3.220 5.538 2.499 + 68ARG N 1027 3.176 5.322 2.548 + 68ARG H 1028 3.211 5.237 2.593 + 68ARG CA 1029 3.054 5.305 2.468 + 68ARG HA 1030 3.018 5.403 2.436 + 68ARG CB 1031 3.089 5.226 2.342 + 68ARG HB1 1032 3.000 5.221 2.279 + 68ARG HB2 1033 3.164 5.280 2.283 + 68ARG CG 1034 3.141 5.084 2.373 + 68ARG HG1 1035 3.235 5.092 2.428 + 68ARG HG2 1036 3.072 5.031 2.440 + 68ARG CD 1037 3.166 5.002 2.248 + 68ARG HD1 1038 3.168 5.063 2.157 + 68ARG HD2 1039 3.264 4.955 2.255 + 68ARG NE 1040 3.068 4.894 2.235 + 68ARG HE 1041 3.096 4.806 2.277 + 68ARG CZ 1042 2.943 4.900 2.190 + 68ARG NH1 1043 2.878 5.014 2.166 + 68ARG HH11 1044 2.909 5.101 2.207 + 68ARG HH12 1045 2.787 5.018 2.122 + 68ARG NH2 1046 2.886 4.784 2.166 + 68ARG HH21 1047 2.949 4.703 2.161 + 68ARG HH22 1048 2.792 4.774 2.130 + 68ARG C 1049 2.938 5.244 2.547 + 68ARG O 1050 2.835 5.210 2.488 + 69THR N 1051 2.953 5.227 2.679 + 69THR H 1052 3.043 5.250 2.719 + 69THR CA 1053 2.848 5.179 2.768 + 69THR HA 1054 2.772 5.122 2.713 + 69THR CB 1055 2.911 5.085 2.872 + 69THR HB 1056 2.991 5.134 2.927 + 69THR OG1 1057 2.968 4.975 2.804 + 69THR HG1 1058 3.051 5.001 2.762 + 69THR CG2 1059 2.808 5.030 2.973 + 69THR HG21 1060 2.851 4.950 3.033 + 69THR HG22 1061 2.774 5.107 3.042 + 69THR HG23 1062 2.721 4.989 2.923 + 69THR C 1063 2.787 5.302 2.839 + 69THR O 1064 2.859 5.371 2.913 + 70PRO N 1065 2.658 5.335 2.819 + 70PRO CA 1066 2.587 5.436 2.898 + 70PRO HA 1067 2.634 5.534 2.884 + 70PRO CB 1068 2.444 5.437 2.842 + 70PRO HB1 1069 2.375 5.378 2.903 + 70PRO HB2 1070 2.407 5.539 2.841 + 70PRO CG 1071 2.453 5.374 2.704 + 70PRO HG1 1072 2.363 5.319 2.675 + 70PRO HG2 1073 2.469 5.452 2.629 + 70PRO CD 1074 2.576 5.285 2.708 + 70PRO HD1 1075 2.547 5.182 2.730 + 70PRO HD2 1076 2.628 5.287 2.612 + 70PRO C 1077 2.580 5.395 3.047 + 70PRO O 1078 2.549 5.280 3.076 + 71GLY N 1079 2.611 5.485 3.141 + 71GLY H 1080 2.643 5.577 3.113 + 71GLY CA 1081 2.592 5.462 3.285 + 71GLY HA1 1082 2.561 5.556 3.330 + 71GLY HA2 1083 2.512 5.392 3.304 + 71GLY C 1084 2.721 5.417 3.356 + 71GLY O 1085 2.718 5.395 3.477 + 72SER N 1086 2.830 5.404 3.280 + 72SER H 1087 2.815 5.430 3.183 + 72SER CA 1088 2.969 5.372 3.315 + 72SER HA 1089 2.973 5.264 3.326 + 72SER CB 1090 3.054 5.406 3.189 + 72SER HB1 1091 3.045 5.325 3.117 + 72SER HB2 1092 3.016 5.495 3.143 + 72SER OG 1093 3.191 5.436 3.205 + 72SER HG 1094 3.236 5.352 3.218 + 72SER C 1095 3.015 5.434 3.448 + 72SER O 1096 2.993 5.552 3.472 + 73ARG N 1097 3.076 5.354 3.537 + 73ARG H 1098 3.086 5.256 3.515 + 73ARG CA 1099 3.129 5.400 3.666 + 73ARG HA 1100 3.111 5.506 3.678 + 73ARG CB 1101 3.061 5.321 3.781 + 73ARG HB1 1102 3.064 5.215 3.759 + 73ARG HB2 1103 3.119 5.333 3.872 + 73ARG CG 1104 2.917 5.365 3.811 + 73ARG HG1 1105 2.857 5.361 3.720 + 73ARG HG2 1106 2.872 5.294 3.880 + 73ARG CD 1107 2.916 5.505 3.874 + 73ARG HD1 1108 2.978 5.502 3.964 + 73ARG HD2 1109 2.961 5.579 3.808 + 73ARG NE 1110 2.786 5.559 3.914 + 73ARG HE 1111 2.778 5.575 4.015 + 73ARG CZ 1112 2.686 5.602 3.836 + 73ARG NH1 1113 2.666 5.559 3.711 + 73ARG HH11 1114 2.731 5.499 3.660 + 73ARG HH12 1115 2.591 5.600 3.655 + 73ARG NH2 1116 2.602 5.691 3.885 + 73ARG HH21 1117 2.613 5.732 3.977 + 73ARG HH22 1118 2.537 5.737 3.822 + 73ARG C 1119 3.282 5.388 3.673 + 73ARG O 1120 3.346 5.476 3.730 + 74ASN N 1121 3.339 5.282 3.614 + 74ASN H 1122 3.276 5.216 3.569 + 74ASN CA 1123 3.481 5.247 3.603 + 74ASN HA 1124 3.481 5.149 3.556 + 74ASN CB 1125 3.559 5.344 3.510 + 74ASN HB1 1126 3.500 5.363 3.420 + 74ASN HB2 1127 3.572 5.441 3.559 + 74ASN CG 1128 3.695 5.289 3.466 + 74ASN OD1 1129 3.721 5.169 3.471 + 74ASN ND2 1130 3.788 5.374 3.424 + 74ASN HD21 1131 3.770 5.474 3.425 + 74ASN HD22 1132 3.875 5.338 3.386 + 74ASN C 1133 3.546 5.230 3.741 + 74ASN O 1134 3.652 5.286 3.770 + 75LEU N 1135 3.481 5.153 3.829 + 75LEU H 1136 3.393 5.111 3.801 + 75LEU CA 1137 3.522 5.136 3.969 + 75LEU HA 1138 3.540 5.234 4.013 + 75LEU CB 1139 3.409 5.064 4.044 + 75LEU HB1 1140 3.380 4.976 3.986 + 75LEU HB2 1141 3.443 5.027 4.140 + 75LEU CG 1142 3.285 5.153 4.063 + 75LEU HG 1143 3.265 5.204 3.969 + 75LEU CD1 1144 3.161 5.069 4.093 + 75LEU HD11 1145 3.074 5.133 4.099 + 75LEU HD12 1146 3.141 4.995 4.015 + 75LEU HD13 1147 3.170 5.015 4.188 + 75LEU CD2 1148 3.307 5.259 4.172 + 75LEU HD21 1149 3.216 5.317 4.189 + 75LEU HD22 1150 3.335 5.213 4.266 + 75LEU HD23 1151 3.385 5.329 4.143 + 75LEU C 1152 3.653 5.056 3.983 + 75LEU O 1153 3.729 5.079 4.077 + 76CYS N 1154 3.686 4.970 3.886 + 76CYS H 1155 3.627 4.962 3.804 + 76CYS CA 1156 3.818 4.907 3.879 + 76CYS HA 1157 3.857 4.889 3.980 + 76CYS CB 1158 3.812 4.773 3.806 + 76CYS HB1 1159 3.772 4.782 3.705 + 76CYS HB2 1160 3.913 4.734 3.792 + 76CYS SG 1161 3.724 4.643 3.893 + 76CYS C 1162 3.919 4.997 3.807 + 76CYS O 1163 4.035 4.958 3.797 + 77ASN N 1164 3.879 5.117 3.761 + 77ASN H 1165 3.782 5.142 3.773 + 77ASN CA 1166 3.960 5.225 3.703 + 77ASN HA 1167 3.893 5.292 3.651 + 77ASN CB 1168 4.025 5.306 3.817 + 77ASN HB1 1169 3.950 5.333 3.891 + 77ASN HB2 1170 4.101 5.250 3.869 + 77ASN CG 1171 4.086 5.437 3.768 + 77ASN OD1 1172 4.015 5.526 3.724 + 77ASN ND2 1173 4.218 5.451 3.775 + 77ASN HD21 1174 4.277 5.369 3.783 + 77ASN HD22 1175 4.257 5.538 3.740 + 77ASN C 1176 4.062 5.169 3.602 + 77ASN O 1177 4.183 5.175 3.623 + 78ILE N 1178 4.010 5.104 3.499 + 78ILE H 1179 3.908 5.104 3.489 + 78ILE CA 1180 4.083 5.032 3.396 + 78ILE HA 1181 4.179 5.083 3.384 + 78ILE CB 1182 4.108 4.883 3.431 + 78ILE HB 1183 4.133 4.832 3.338 + 78ILE CG1 1184 3.981 4.814 3.485 + 78ILE HG11 1185 3.949 4.860 3.577 + 78ILE HG12 1186 3.899 4.830 3.415 + 78ILE CG2 1187 4.232 4.862 3.520 + 78ILE HG21 1188 4.252 4.756 3.536 + 78ILE HG22 1189 4.321 4.900 3.470 + 78ILE HG23 1190 4.223 4.910 3.617 + 78ILE CD 1191 3.995 4.664 3.505 + 78ILE HD1 1192 3.899 4.619 3.532 + 78ILE HD2 1193 4.029 4.617 3.412 + 78ILE HD3 1194 4.066 4.640 3.583 + 78ILE C 1195 4.007 5.044 3.264 + 78ILE O 1196 3.884 5.045 3.264 + 79PRO N 1197 4.077 5.042 3.149 + 79PRO CA 1198 4.013 5.021 3.021 + 79PRO HA 1199 3.927 5.086 3.012 + 79PRO CB 1200 4.118 5.059 2.917 + 79PRO HB1 1201 4.112 5.000 2.826 + 79PRO HB2 1202 4.102 5.163 2.891 + 79PRO CG 1203 4.253 5.044 2.987 + 79PRO HG1 1204 4.294 4.946 2.965 + 79PRO HG2 1205 4.324 5.121 2.955 + 79PRO CD 1206 4.222 5.053 3.137 + 79PRO HD1 1207 4.272 4.972 3.190 + 79PRO HD2 1208 4.255 5.147 3.181 + 79PRO C 1209 3.975 4.872 3.012 + 79PRO O 1210 4.054 4.786 3.052 + 80CYS N 1211 3.856 4.840 2.960 + 80CYS H 1212 3.796 4.917 2.929 + 80CYS CA 1213 3.807 4.703 2.945 + 80CYS HA 1214 3.810 4.654 3.043 + 80CYS CB 1215 3.664 4.701 2.891 + 80CYS HB1 1216 3.659 4.753 2.796 + 80CYS HB2 1217 3.638 4.598 2.871 + 80CYS SG 1218 3.536 4.767 3.000 + 80CYS C 1219 3.895 4.620 2.852 + 80CYS O 1220 3.904 4.498 2.867 + 81SER N 1221 3.965 4.686 2.759 + 81SER H 1222 3.949 4.786 2.748 + 81SER CA 1223 4.066 4.626 2.673 + 81SER HA 1224 4.014 4.550 2.615 + 81SER CB 1225 4.116 4.733 2.575 + 81SER HB1 1226 4.172 4.685 2.494 + 81SER HB2 1227 4.031 4.779 2.526 + 81SER OG 1228 4.195 4.836 2.632 + 81SER HG 1229 4.184 4.912 2.576 + 81SER C 1230 4.176 4.554 2.753 + 81SER O 1231 4.209 4.440 2.720 + 82ALA N 1232 4.222 4.610 2.867 + 82ALA H 1233 4.180 4.698 2.895 + 82ALA CA 1234 4.325 4.552 2.955 + 82ALA HA 1235 4.418 4.543 2.898 + 82ALA CB 1236 4.351 4.644 3.075 + 82ALA HB1 1237 4.425 4.599 3.141 + 82ALA HB2 1238 4.389 4.741 3.045 + 82ALA HB3 1239 4.261 4.660 3.135 + 82ALA C 1240 4.289 4.414 3.011 + 82ALA O 1241 4.378 4.333 3.040 + 83LEU N 1242 4.159 4.387 3.022 + 83LEU H 1243 4.094 4.457 2.990 + 83LEU CA 1244 4.102 4.263 3.072 + 83LEU HA 1245 4.162 4.224 3.155 + 83LEU CB 1246 3.958 4.291 3.121 + 83LEU HB1 1247 3.895 4.322 3.038 + 83LEU HB2 1248 3.913 4.198 3.156 + 83LEU CG 1249 3.949 4.395 3.235 + 83LEU HG 1250 3.994 4.490 3.204 + 83LEU CD1 1251 3.803 4.424 3.269 + 83LEU HD11 1252 3.793 4.494 3.352 + 83LEU HD12 1253 3.748 4.464 3.183 + 83LEU HD13 1254 3.753 4.332 3.299 + 83LEU CD2 1255 4.020 4.343 3.359 + 83LEU HD21 1256 4.000 4.401 3.449 + 83LEU HD22 1257 3.986 4.242 3.377 + 83LEU HD23 1258 4.128 4.341 3.345 + 83LEU C 1259 4.097 4.154 2.964 + 83LEU O 1260 4.061 4.041 2.997 + 84LEU N 1261 4.136 4.182 2.839 + 84LEU H 1262 4.156 4.279 2.816 + 84LEU CA 1263 4.145 4.083 2.731 + 84LEU HA 1264 4.087 3.996 2.757 + 84LEU CB 1265 4.090 4.143 2.600 + 84LEU HB1 1266 4.150 4.229 2.571 + 84LEU HB2 1267 4.102 4.070 2.520 + 84LEU CG 1268 3.941 4.182 2.605 + 84LEU HG 1269 3.926 4.256 2.684 + 84LEU CD1 1270 3.899 4.246 2.472 + 84LEU HD11 1271 3.794 4.275 2.472 + 84LEU HD12 1272 3.958 4.335 2.451 + 84LEU HD13 1273 3.913 4.176 2.389 + 84LEU CD2 1274 3.850 4.061 2.637 + 84LEU HD21 1275 3.745 4.089 2.640 + 84LEU HD22 1276 3.860 3.983 2.561 + 84LEU HD23 1277 3.873 4.017 2.734 + 84LEU C 1278 4.290 4.033 2.709 + 84LEU O 1279 4.316 3.961 2.612 + 85SER N 1280 4.383 4.069 2.799 + 85SER H 1281 4.352 4.126 2.876 + 85SER CA 1282 4.524 4.032 2.793 + 85SER HA 1283 4.562 4.057 2.694 + 85SER CB 1284 4.602 4.112 2.901 + 85SER HB1 1285 4.589 4.218 2.884 + 85SER HB2 1286 4.561 4.091 3.000 + 85SER OG 1287 4.742 4.086 2.904 + 85SER HG 1288 4.781 4.157 2.955 + 85SER C 1289 4.540 3.882 2.816 + 85SER O 1290 4.460 3.820 2.886 + 86SER N 1291 4.649 3.823 2.766 + 86SER H 1292 4.710 3.879 2.709 + 86SER CA 1293 4.690 3.687 2.799 + 86SER HA 1294 4.606 3.618 2.790 + 86SER CB 1295 4.800 3.648 2.701 + 86SER HB1 1296 4.875 3.727 2.693 + 86SER HB2 1297 4.852 3.561 2.739 + 86SER OG 1298 4.745 3.619 2.573 + 86SER HG 1299 4.816 3.582 2.521 + 86SER C 1300 4.747 3.674 2.942 + 86SER O 1301 4.767 3.562 2.991 + 87ASP N 1302 4.775 3.787 3.007 + 87ASP H 1303 4.753 3.875 2.960 + 87ASP CA 1304 4.817 3.798 3.146 + 87ASP HA 1305 4.865 3.706 3.178 + 87ASP CB 1306 4.915 3.915 3.155 + 87ASP HB1 1307 4.987 3.902 3.076 + 87ASP HB2 1308 4.868 4.012 3.138 + 87ASP CG 1309 4.993 3.920 3.286 + 87ASP OD1 1310 4.940 3.873 3.390 + 87ASP OD2 1311 5.109 3.964 3.279 + 87ASP C 1312 4.692 3.829 3.228 + 87ASP O 1313 4.621 3.926 3.198 + 88ILE N 1314 4.661 3.749 3.330 + 88ILE H 1315 4.726 3.674 3.354 + 88ILE CA 1316 4.539 3.764 3.410 + 88ILE HA 1317 4.458 3.795 3.346 + 88ILE CB 1318 4.497 3.627 3.471 + 88ILE HB 1319 4.404 3.646 3.525 + 88ILE CG1 1320 4.596 3.568 3.574 + 88ILE HG11 1321 4.679 3.520 3.523 + 88ILE HG12 1322 4.640 3.647 3.635 + 88ILE CG2 1323 4.462 3.526 3.360 + 88ILE HG21 1324 4.422 3.433 3.401 + 88ILE HG22 1325 4.387 3.566 3.292 + 88ILE HG23 1326 4.550 3.501 3.300 + 88ILE CD 1327 4.531 3.467 3.669 + 88ILE HD1 1328 4.600 3.441 3.750 + 88ILE HD2 1329 4.441 3.507 3.716 + 88ILE HD3 1330 4.503 3.375 3.618 + 88ILE C 1331 4.549 3.873 3.518 + 88ILE O 1332 4.449 3.893 3.588 + 89THR N 1333 4.663 3.944 3.534 + 89THR H 1334 4.746 3.919 3.479 + 89THR CA 1335 4.683 4.048 3.636 + 89THR HA 1336 4.687 3.992 3.729 + 89THR CB 1337 4.819 4.120 3.620 + 89THR HB 1338 4.827 4.165 3.521 + 89THR OG1 1339 4.925 4.028 3.636 + 89THR HG1 1340 4.981 4.041 3.560 + 89THR CG2 1341 4.841 4.228 3.727 + 89THR HG21 1342 4.934 4.280 3.710 + 89THR HG22 1343 4.764 4.305 3.728 + 89THR HG23 1344 4.843 4.184 3.827 + 89THR C 1345 4.567 4.149 3.650 + 89THR O 1346 4.508 4.158 3.758 + 90ALA N 1347 4.532 4.222 3.543 + 90ALA H 1348 4.588 4.211 3.458 + 90ALA CA 1349 4.427 4.324 3.541 + 90ALA HA 1350 4.454 4.399 3.615 + 90ALA CB 1351 4.419 4.390 3.402 + 90ALA HB1 1352 4.351 4.475 3.404 + 90ALA HB2 1353 4.516 4.428 3.371 + 90ALA HB3 1354 4.385 4.322 3.325 + 90ALA C 1355 4.290 4.267 3.582 + 90ALA O 1356 4.221 4.324 3.666 + 91SER N 1357 4.255 4.151 3.526 + 91SER H 1358 4.313 4.115 3.451 + 91SER CA 1359 4.133 4.078 3.558 + 91SER HA 1360 4.048 4.144 3.546 + 91SER CB 1361 4.120 3.959 3.460 + 91SER HB1 1362 4.206 3.892 3.468 + 91SER HB2 1363 4.031 3.901 3.484 + 91SER OG 1364 4.111 4.003 3.326 + 91SER HG 1365 4.040 3.954 3.284 + 91SER C 1366 4.127 4.033 3.705 + 91SER O 1367 4.024 4.052 3.769 + 92VAL N 1368 4.237 3.981 3.762 + 92VAL H 1369 4.322 3.975 3.706 + 92VAL CA 1370 4.243 3.946 3.904 + 92VAL HA 1371 4.156 3.885 3.928 + 92VAL CB 1372 4.371 3.863 3.935 + 92VAL HB 1373 4.456 3.916 3.894 + 92VAL CG1 1374 4.393 3.845 4.087 + 92VAL HG11 1375 4.465 3.766 4.109 + 92VAL HG12 1376 4.430 3.937 4.133 + 92VAL HG13 1377 4.301 3.817 4.136 + 92VAL CG2 1378 4.372 3.725 3.868 + 92VAL HG21 1379 4.461 3.669 3.896 + 92VAL HG22 1380 4.285 3.666 3.895 + 92VAL HG23 1381 4.373 3.733 3.760 + 92VAL C 1382 4.237 4.072 3.993 + 92VAL O 1383 4.165 4.072 4.092 + 93ASN N 1384 4.312 4.179 3.960 + 93ASN H 1385 4.370 4.173 3.876 + 93ASN CA 1386 4.318 4.302 4.040 + 93ASN HA 1387 4.338 4.272 4.143 + 93ASN CB 1388 4.427 4.401 3.991 + 93ASN HB1 1389 4.427 4.405 3.882 + 93ASN HB2 1390 4.403 4.502 4.024 + 93ASN CG 1391 4.570 4.374 4.040 + 93ASN OD1 1392 4.665 4.426 3.985 + 93ASN ND2 1393 4.589 4.294 4.144 + 93ASN HD21 1394 4.512 4.247 4.188 + 93ASN HD22 1395 4.683 4.272 4.171 + 93ASN C 1396 4.183 4.373 4.047 + 93ASN O 1397 4.149 4.425 4.154 + 94CYS N 1398 4.105 4.369 3.939 + 94CYS H 1399 4.145 4.333 3.853 + 94CYS CA 1400 3.967 4.415 3.937 + 94CYS HA 1401 3.962 4.513 3.986 + 94CYS CB 1402 3.921 4.431 3.792 + 94CYS HB1 1403 3.985 4.503 3.743 + 94CYS HB2 1404 3.935 4.337 3.737 + 94CYS SG 1405 3.749 4.485 3.768 + 94CYS C 1406 3.875 4.318 4.013 + 94CYS O 1407 3.798 4.362 4.097 + 95ALA N 1408 3.887 4.186 3.991 + 95ALA H 1409 3.952 4.153 3.921 + 95ALA CA 1410 3.805 4.084 4.058 + 95ALA HA 1411 3.701 4.102 4.030 + 95ALA CB 1412 3.844 3.945 4.009 + 95ALA HB1 1413 3.778 3.870 4.051 + 95ALA HB2 1414 3.835 3.937 3.900 + 95ALA HB3 1415 3.946 3.919 4.037 + 95ALA C 1416 3.813 4.090 4.212 + 95ALA O 1417 3.713 4.070 4.281 + 96LYS N 1418 3.930 4.124 4.265 + 96LYS H 1419 4.009 4.134 4.202 + 96LYS CA 1420 3.953 4.144 4.408 + 96LYS HA 1421 3.915 4.058 4.462 + 96LYS CB 1422 4.103 4.155 4.433 + 96LYS HB1 1423 4.147 4.234 4.371 + 96LYS HB2 1424 4.114 4.186 4.537 + 96LYS CG 1425 4.182 4.025 4.422 + 96LYS HG1 1426 4.145 3.953 4.494 + 96LYS HG2 1427 4.169 3.980 4.324 + 96LYS CD 1428 4.330 4.054 4.449 + 96LYS HD1 1429 4.368 4.121 4.371 + 96LYS HD2 1430 4.340 4.108 4.543 + 96LYS CE 1431 4.415 3.927 4.455 + 96LYS HE1 1432 4.386 3.866 4.541 + 96LYS HE2 1433 4.401 3.867 4.366 + 96LYS NZ 1434 4.557 3.962 4.466 + 96LYS HZ1 1435 4.612 3.876 4.467 + 96LYS HZ2 1436 4.591 4.009 4.381 + 96LYS HZ3 1437 4.580 4.018 4.547 + 96LYS C 1438 3.889 4.273 4.465 + 96LYS O 1439 3.874 4.284 4.587 + 97LYS N 1440 3.852 4.370 4.379 + 97LYS H 1441 3.866 4.354 4.280 + 97LYS CA 1442 3.776 4.489 4.417 + 97LYS HA 1443 3.803 4.521 4.518 + 97LYS CB 1444 3.803 4.605 4.318 + 97LYS HB1 1445 3.775 4.578 4.216 + 97LYS HB2 1446 3.739 4.690 4.344 + 97LYS CG 1447 3.949 4.650 4.323 + 97LYS HG1 1448 3.974 4.678 4.425 + 97LYS HG2 1449 4.013 4.566 4.299 + 97LYS CD 1450 3.982 4.767 4.229 + 97LYS HD1 1451 3.952 4.741 4.128 + 97LYS HD2 1452 3.925 4.855 4.258 + 97LYS CE 1453 4.133 4.796 4.233 + 97LYS HE1 1454 4.163 4.825 4.334 + 97LYS HE2 1455 4.188 4.706 4.206 + 97LYS NZ 1456 4.173 4.900 4.138 + 97LYS HZ1 1457 4.273 4.915 4.141 + 97LYS HZ2 1458 4.156 4.863 4.045 + 97LYS HZ3 1459 4.123 4.988 4.148 + 97LYS C 1460 3.626 4.455 4.415 + 97LYS O 1461 3.556 4.494 4.507 + 98ILE N 1462 3.581 4.379 4.314 + 98ILE H 1463 3.647 4.356 4.240 + 98ILE CA 1464 3.442 4.334 4.296 + 98ILE HA 1465 3.379 4.423 4.294 + 98ILE CB 1466 3.428 4.258 4.160 + 98ILE HB 1467 3.499 4.176 4.160 + 98ILE CG1 1468 3.462 4.349 4.041 + 98ILE HG11 1469 3.389 4.429 4.039 + 98ILE HG12 1470 3.557 4.399 4.055 + 98ILE CG2 1471 3.287 4.197 4.142 + 98ILE HG21 1472 3.276 4.145 4.047 + 98ILE HG22 1473 3.264 4.124 4.219 + 98ILE HG23 1474 3.210 4.275 4.146 + 98ILE CD 1475 3.464 4.281 3.903 + 98ILE HD1 1476 3.494 4.353 3.826 + 98ILE HD2 1477 3.533 4.198 3.900 + 98ILE HD3 1478 3.365 4.245 3.873 + 98ILE C 1479 3.396 4.248 4.416 + 98ILE O 1480 3.291 4.273 4.474 + 99VAL N 1481 3.475 4.146 4.455 + 99VAL H 1482 3.558 4.128 4.400 + 99VAL CA 1483 3.439 4.051 4.561 + 99VAL HA 1484 3.337 4.016 4.541 + 99VAL CB 1485 3.537 3.931 4.552 + 99VAL HB 1486 3.541 3.900 4.448 + 99VAL CG1 1487 3.680 3.968 4.594 + 99VAL HG11 1488 3.750 3.887 4.572 + 99VAL HG12 1489 3.713 4.057 4.542 + 99VAL HG13 1490 3.687 3.987 4.701 + 99VAL CG2 1491 3.490 3.807 4.630 + 99VAL HG21 1492 3.561 3.725 4.621 + 99VAL HG22 1493 3.477 3.828 4.737 + 99VAL HG23 1494 3.396 3.771 4.591 + 99VAL C 1495 3.440 4.117 4.701 + 99VAL O 1496 3.370 4.074 4.792 + 100SER N 1497 3.518 4.225 4.718 + 100SER H 1498 3.568 4.260 4.637 + 100SER CA 1499 3.528 4.302 4.842 + 100SER HA 1500 3.525 4.236 4.929 + 100SER CB 1501 3.660 4.382 4.839 + 100SER HB1 1502 3.671 4.437 4.746 + 100SER HB2 1503 3.663 4.456 4.919 + 100SER OG 1504 3.771 4.296 4.856 + 100SER HG 1505 3.825 4.307 4.779 + 100SER C 1506 3.412 4.402 4.856 + 100SER O 1507 3.411 4.477 4.954 + 101ASP N 1508 3.319 4.409 4.760 + 101ASP H 1509 3.326 4.346 4.681 + 101ASP CA 1510 3.221 4.517 4.747 + 101ASP HA 1511 3.260 4.604 4.799 + 101ASP CB 1512 3.209 4.550 4.598 + 101ASP HB1 1513 3.306 4.544 4.548 + 101ASP HB2 1514 3.146 4.476 4.550 + 101ASP CG 1515 3.157 4.689 4.571 + 101ASP OD1 1516 3.218 4.786 4.619 + 101ASP OD2 1517 3.056 4.696 4.495 + 101ASP C 1518 3.082 4.485 4.807 + 101ASP O 1519 2.993 4.570 4.807 + 102GLY N 1520 3.063 4.365 4.864 + 102GLY H 1521 3.137 4.298 4.856 + 102GLY CA 1522 2.952 4.335 4.954 + 102GLY HA1 1523 2.990 4.332 5.056 + 102GLY HA2 1524 2.876 4.413 4.954 + 102GLY C 1525 2.879 4.203 4.928 + 102GLY O 1526 2.837 4.140 5.025 + 103ASN N 1527 2.865 4.157 4.803 + 103ASN H 1528 2.915 4.202 4.727 + 103ASN CA 1529 2.790 4.033 4.772 + 103ASN HA 1530 2.733 4.001 4.860 + 103ASN CB 1531 2.693 4.054 4.654 + 103ASN HB1 1532 2.664 4.159 4.647 + 103ASN HB2 1533 2.741 4.031 4.559 + 103ASN CG 1534 2.564 3.971 4.664 + 103ASN OD1 1535 2.559 3.868 4.732 + 103ASN ND2 1536 2.458 4.012 4.597 + 103ASN HD21 1537 2.459 4.101 4.547 + 103ASN HD22 1538 2.371 3.961 4.600 + 103ASN C 1539 2.887 3.918 4.739 + 103ASN O 1540 2.846 3.815 4.686 + 104GLY N 1541 3.016 3.930 4.775 + 104GLY H 1542 3.042 4.016 4.821 + 104GLY CA 1543 3.124 3.836 4.743 + 104GLY HA1 1544 3.219 3.883 4.764 + 104GLY HA2 1545 3.115 3.752 4.811 + 104GLY C 1546 3.124 3.788 4.597 + 104GLY O 1547 3.119 3.869 4.505 + 105MET N 1548 3.129 3.656 4.575 + 105MET H 1549 3.129 3.592 4.654 + 105MET CA 1550 3.136 3.599 4.441 + 105MET HA 1551 3.202 3.660 4.379 + 105MET CB 1552 3.193 3.456 4.445 + 105MET HB1 1553 3.137 3.392 4.515 + 105MET HB2 1554 3.182 3.410 4.347 + 105MET CG 1555 3.341 3.456 4.481 + 105MET HG1 1556 3.389 3.547 4.446 + 105MET HG2 1557 3.348 3.467 4.588 + 105MET SD 1558 3.439 3.309 4.437 + 105MET CE 1559 3.432 3.299 4.256 + 105MET HE1 1560 3.440 3.194 4.227 + 105MET HE2 1561 3.340 3.338 4.214 + 105MET HE3 1562 3.517 3.349 4.210 + 105MET C 1563 3.000 3.596 4.369 + 105MET O 1564 2.994 3.556 4.253 + 106ASN N 1565 2.892 3.643 4.432 + 106ASN H 1566 2.904 3.685 4.524 + 106ASN CA 1567 2.760 3.648 4.370 + 106ASN HA 1568 2.744 3.552 4.323 + 106ASN CB 1569 2.647 3.674 4.472 + 106ASN HB1 1570 2.665 3.770 4.519 + 106ASN HB2 1571 2.552 3.684 4.421 + 106ASN CG 1572 2.628 3.564 4.576 + 106ASN OD1 1573 2.604 3.448 4.542 + 106ASN ND2 1574 2.635 3.596 4.704 + 106ASN HD21 1575 2.636 3.696 4.727 + 106ASN HD22 1576 2.628 3.527 4.778 + 106ASN C 1577 2.751 3.753 4.258 + 106ASN O 1578 2.660 3.747 4.176 + 107ALA N 1579 2.851 3.841 4.245 + 107ALA H 1580 2.923 3.839 4.316 + 107ALA CA 1581 2.873 3.927 4.129 + 107ALA HA 1582 2.789 3.996 4.121 + 107ALA CB 1583 3.001 4.009 4.154 + 107ALA HB1 1584 3.022 4.075 4.069 + 107ALA HB2 1585 2.991 4.072 4.242 + 107ALA HB3 1586 3.087 3.945 4.168 + 107ALA C 1587 2.882 3.851 3.996 + 107ALA O 1588 2.843 3.905 3.893 + 108TRP N 1589 2.928 3.725 3.999 + 108TRP H 1590 2.950 3.683 4.088 + 108TRP CA 1591 2.941 3.637 3.883 + 108TRP HA 1592 2.937 3.694 3.790 + 108TRP CB 1593 3.077 3.567 3.892 + 108TRP HB1 1594 3.092 3.519 3.988 + 108TRP HB2 1595 3.083 3.488 3.817 + 108TRP CG 1596 3.187 3.663 3.865 + 108TRP CD1 1597 3.225 3.705 3.743 + 108TRP HD1 1598 3.179 3.673 3.650 + 108TRP CD2 1599 3.268 3.737 3.960 + 108TRP NE1 1600 3.333 3.789 3.755 + 108TRP HE1 1601 3.377 3.824 3.670 + 108TRP CE2 1602 3.365 3.813 3.887 + 108TRP CE3 1603 3.270 3.748 4.100 + 108TRP HE3 1604 3.198 3.691 4.157 + 108TRP CZ2 1605 3.464 3.889 3.952 + 108TRP HZ2 1606 3.538 3.943 3.894 + 108TRP CZ3 1607 3.364 3.830 4.166 + 108TRP HZ3 1608 3.364 3.834 4.274 + 108TRP CH2 1609 3.463 3.896 4.092 + 108TRP HH2 1610 3.539 3.952 4.145 + 108TRP C 1611 2.830 3.533 3.884 + 108TRP O 1612 2.826 3.445 3.970 + 109VAL N 1613 2.739 3.545 3.787 + 109VAL H 1614 2.757 3.615 3.716 + 109VAL CA 1615 2.619 3.463 3.775 + 109VAL HA 1616 2.568 3.467 3.872 + 109VAL CB 1617 2.526 3.524 3.668 + 109VAL HB 1618 2.506 3.626 3.702 + 109VAL CG1 1619 2.585 3.535 3.527 + 109VAL HG11 1620 2.513 3.583 3.461 + 109VAL HG12 1621 2.674 3.595 3.524 + 109VAL HG13 1622 2.608 3.437 3.484 + 109VAL CG2 1623 2.391 3.453 3.655 + 109VAL HG21 1624 2.330 3.498 3.578 + 109VAL HG22 1625 2.401 3.347 3.629 + 109VAL HG23 1626 2.332 3.461 3.744 + 109VAL C 1627 2.650 3.316 3.747 + 109VAL O 1628 2.577 3.229 3.797 + 110ALA N 1629 2.757 3.285 3.673 + 110ALA H 1630 2.821 3.359 3.640 + 110ALA CA 1631 2.793 3.148 3.641 + 110ALA HA 1632 2.704 3.094 3.610 + 110ALA CB 1633 2.896 3.145 3.528 + 110ALA HB1 1634 2.902 3.045 3.487 + 110ALA HB2 1635 2.868 3.211 3.446 + 110ALA HB3 1636 2.995 3.174 3.561 + 110ALA C 1637 2.853 3.079 3.764 + 110ALA O 1638 2.835 2.959 3.780 + 111TRP N 1639 2.917 3.155 3.855 + 111TRP H 1640 2.925 3.254 3.835 + 111TRP CA 1641 2.959 3.104 3.985 + 111TRP HA 1642 3.014 3.012 3.967 + 111TRP CB 1643 3.053 3.201 4.061 + 111TRP HB1 1644 3.143 3.218 4.001 + 111TRP HB2 1645 3.008 3.299 4.074 + 111TRP CG 1646 3.096 3.150 4.196 + 111TRP CD1 1647 3.197 3.064 4.221 + 111TRP HD1 1648 3.263 3.024 4.146 + 111TRP CD2 1649 3.031 3.174 4.325 + 111TRP NE1 1650 3.197 3.031 4.355 + 111TRP HE1 1651 3.263 2.967 4.400 + 111TRP CE2 1652 3.097 3.096 4.424 + 111TRP CE3 1653 2.921 3.252 4.368 + 111TRP HE3 1654 2.869 3.312 4.295 + 111TRP CZ2 1655 3.058 3.096 4.559 + 111TRP HZ2 1656 3.111 3.036 4.631 + 111TRP CZ3 1657 2.881 3.253 4.503 + 111TRP HZ3 1658 2.798 3.315 4.533 + 111TRP CH2 1659 2.950 3.176 4.599 + 111TRP HH2 1660 2.919 3.177 4.702 + 111TRP C 1661 2.836 3.071 4.072 + 111TRP O 1662 2.832 2.961 4.128 + 112ARG N 1663 2.735 3.160 4.082 + 112ARG H 1664 2.745 3.249 4.035 + 112ARG CA 1665 2.618 3.133 4.167 + 112ARG HA 1666 2.654 3.113 4.268 + 112ARG CB 1667 2.514 3.248 4.173 + 112ARG HB1 1668 2.451 3.240 4.088 + 112ARG HB2 1669 2.448 3.228 4.258 + 112ARG CG 1670 2.561 3.394 4.183 + 112ARG HG1 1671 2.618 3.400 4.275 + 112ARG HG2 1672 2.628 3.418 4.101 + 112ARG CD 1673 2.447 3.498 4.187 + 112ARG HD1 1674 2.373 3.469 4.262 + 112ARG HD2 1675 2.483 3.593 4.224 + 112ARG NE 1676 2.377 3.521 4.058 + 112ARG HE 1677 2.332 3.437 4.020 + 112ARG CZ 1678 2.373 3.634 3.984 + 112ARG NH1 1679 2.460 3.733 4.000 + 112ARG HH11 1680 2.537 3.727 4.070 + 112ARG HH12 1681 2.462 3.813 3.939 + 112ARG NH2 1682 2.280 3.647 3.890 + 112ARG HH21 1683 2.205 3.579 3.881 + 112ARG HH22 1684 2.292 3.708 3.807 + 112ARG C 1685 2.541 3.008 4.116 + 112ARG O 1686 2.502 2.924 4.196 + 113ASN N 1687 2.522 2.997 3.984 + 113ASN H 1688 2.559 3.070 3.924 + 113ASN CA 1689 2.439 2.892 3.924 + 113ASN HA 1690 2.350 2.877 3.986 + 113ASN CB 1691 2.396 2.929 3.779 + 113ASN HB1 1692 2.483 2.963 3.723 + 113ASN HB2 1693 2.358 2.841 3.727 + 113ASN CG 1694 2.285 3.033 3.768 + 113ASN OD1 1695 2.205 3.055 3.860 + 113ASN ND2 1696 2.283 3.107 3.658 + 113ASN HD21 1697 2.354 3.092 3.586 + 113ASN HD22 1698 2.211 3.175 3.638 + 113ASN C 1699 2.510 2.756 3.912 + 113ASN O 1700 2.441 2.655 3.899 + 114ARG N 1701 2.644 2.752 3.908 + 114ARG H 1702 2.695 2.839 3.916 + 114ARG CA 1703 2.719 2.631 3.871 + 114ARG HA 1704 2.654 2.545 3.887 + 114ARG CB 1705 2.752 2.631 3.720 + 114ARG HB1 1706 2.804 2.723 3.694 + 114ARG HB2 1707 2.822 2.551 3.698 + 114ARG CG 1708 2.627 2.614 3.630 + 114ARG HG1 1709 2.575 2.523 3.660 + 114ARG HG2 1710 2.556 2.696 3.647 + 114ARG CD 1711 2.659 2.606 3.481 + 114ARG HD1 1712 2.740 2.536 3.463 + 114ARG HD2 1713 2.572 2.565 3.429 + 114ARG NE 1714 2.688 2.740 3.425 + 114ARG HE 1715 2.722 2.805 3.494 + 114ARG CZ 1716 2.677 2.781 3.297 + 114ARG NH1 1717 2.641 2.698 3.199 + 114ARG HH11 1718 2.623 2.598 3.210 + 114ARG HH12 1719 2.619 2.731 3.105 + 114ARG NH2 1720 2.701 2.908 3.265 + 114ARG HH21 1721 2.700 2.985 3.331 + 114ARG HH22 1722 2.701 2.940 3.168 + 114ARG C 1723 2.837 2.595 3.961 + 114ARG O 1724 2.893 2.486 3.943 + 115CYS N 1725 2.875 2.680 4.058 + 115CYS H 1726 2.823 2.766 4.070 + 115CYS CA 1727 2.992 2.659 4.144 + 115CYS HA 1728 3.035 2.560 4.129 + 115CYS CB 1729 3.100 2.762 4.109 + 115CYS HB1 1730 3.063 2.862 4.132 + 115CYS HB2 1731 3.188 2.748 4.171 + 115CYS SG 1732 3.149 2.759 3.936 + 115CYS C 1733 2.960 2.671 4.293 + 115CYS O 1734 3.025 2.605 4.375 + 116LYS N 1735 2.864 2.755 4.331 + 116LYS H 1736 2.817 2.810 4.261 + 116LYS CA 1737 2.827 2.774 4.471 + 116LYS HA 1738 2.917 2.795 4.528 + 116LYS CB 1739 2.731 2.894 4.482 + 116LYS HB1 1740 2.777 2.981 4.435 + 116LYS HB2 1741 2.641 2.873 4.424 + 116LYS CG 1742 2.694 2.929 4.627 + 116LYS HG1 1743 2.669 2.839 4.684 + 116LYS HG2 1744 2.781 2.972 4.677 + 116LYS CD 1745 2.574 3.023 4.633 + 116LYS HD1 1746 2.586 3.102 4.560 + 116LYS HD2 1747 2.486 2.965 4.603 + 116LYS CE 1748 2.551 3.083 4.772 + 116LYS HE1 1749 2.544 3.005 4.848 + 116LYS HE2 1750 2.636 3.145 4.799 + 116LYS NZ 1751 2.428 3.164 4.776 + 116LYS HZ1 1752 2.416 3.211 4.865 + 116LYS HZ2 1753 2.429 3.236 4.705 + 116LYS HZ3 1754 2.345 3.108 4.759 + 116LYS C 1755 2.759 2.647 4.522 + 116LYS O 1756 2.657 2.603 4.469 + 117GLY N 1757 2.817 2.586 4.626 + 117GLY H 1758 2.904 2.624 4.661 + 117GLY CA 1759 2.757 2.475 4.697 + 117GLY HA1 1760 2.783 2.484 4.802 + 117GLY HA2 1761 2.648 2.478 4.692 + 117GLY C 1762 2.806 2.339 4.649 + 117GLY O 1763 2.768 2.238 4.708 + 118THR N 1764 2.889 2.334 4.544 + 118THR H 1765 2.922 2.420 4.501 + 118THR CA 1766 2.945 2.211 4.490 + 118THR HA 1767 2.881 2.126 4.517 + 118THR CB 1768 2.952 2.222 4.335 + 118THR HB 1769 2.976 2.123 4.296 + 118THR OG1 1770 3.052 2.310 4.288 + 118THR HG1 1771 3.041 2.323 4.195 + 118THR CG2 1772 2.819 2.264 4.272 + 118THR HG21 1773 2.823 2.254 4.164 + 118THR HG22 1774 2.736 2.204 4.308 + 118THR HG23 1775 2.795 2.369 4.294 + 118THR C 1776 3.085 2.189 4.551 + 118THR O 1777 3.142 2.278 4.615 + 119ASP N 1778 3.143 2.071 4.526 + 119ASP H 1779 3.088 2.002 4.476 + 119ASP CA 1780 3.282 2.039 4.558 + 119ASP HA 1781 3.305 2.076 4.658 + 119ASP CB 1782 3.303 1.886 4.555 + 119ASP HB1 1783 3.233 1.838 4.623 + 119ASP HB2 1784 3.280 1.848 4.455 + 119ASP CG 1785 3.443 1.840 4.593 + 119ASP OD1 1786 3.510 1.899 4.681 + 119ASP OD2 1787 3.487 1.738 4.536 + 119ASP C 1788 3.376 2.111 4.459 + 119ASP O 1789 3.435 2.050 4.370 + 120VAL N 1790 3.391 2.243 4.476 + 120VAL H 1791 3.330 2.287 4.544 + 120VAL CA 1792 3.476 2.328 4.393 + 120VAL HA 1793 3.440 2.315 4.291 + 120VAL CB 1794 3.460 2.477 4.432 + 120VAL HB 1795 3.529 2.533 4.370 + 120VAL CG1 1796 3.321 2.531 4.395 + 120VAL HG11 1797 3.313 2.638 4.416 + 120VAL HG12 1798 3.301 2.518 4.289 + 120VAL HG13 1799 3.243 2.480 4.450 + 120VAL CG2 1800 3.496 2.508 4.578 + 120VAL HG21 1801 3.485 2.614 4.600 + 120VAL HG22 1802 3.431 2.454 4.648 + 120VAL HG23 1803 3.599 2.481 4.602 + 120VAL C 1804 3.625 2.287 4.395 + 120VAL O 1805 3.704 2.328 4.311 + 121GLN N 1806 3.665 2.203 4.491 + 121GLN H 1807 3.593 2.166 4.552 + 121GLN CA 1808 3.799 2.150 4.501 + 121GLN HA 1809 3.867 2.235 4.492 + 121GLN CB 1810 3.816 2.086 4.639 + 121GLN HB1 1811 3.753 2.138 4.712 + 121GLN HB2 1812 3.780 1.982 4.639 + 121GLN CG 1813 3.962 2.096 4.685 + 121GLN HG1 1814 4.023 2.028 4.626 + 121GLN HG2 1815 4.001 2.196 4.666 + 121GLN CD 1816 3.983 2.066 4.832 + 121GLN OE1 1817 4.073 2.124 4.892 + 121GLN NE2 1818 3.903 1.979 4.890 + 121GLN HE21 1819 3.827 1.936 4.840 + 121GLN HE22 1820 3.925 1.945 4.984 + 121GLN C 1821 3.833 2.050 4.389 + 121GLN O 1822 3.951 2.033 4.358 + 122ALA N 1823 3.732 1.994 4.321 + 122ALA H 1824 3.638 2.012 4.354 + 122ALA CA 1825 3.744 1.916 4.198 + 122ALA HA 1826 3.797 1.823 4.221 + 122ALA CB 1827 3.604 1.882 4.148 + 122ALA HB1 1828 3.610 1.831 4.052 + 122ALA HB2 1829 3.549 1.819 4.218 + 122ALA HB3 1830 3.544 1.973 4.132 + 122ALA C 1831 3.822 1.988 4.087 + 122ALA O 1832 3.895 1.926 4.009 + 123TRP N 1833 3.811 2.121 4.084 + 123TRP H 1834 3.749 2.164 4.152 + 123TRP CA 1835 3.874 2.209 3.986 + 123TRP HA 1836 3.855 2.166 3.887 + 123TRP CB 1837 3.809 2.348 3.993 + 123TRP HB1 1838 3.812 2.388 4.094 + 123TRP HB2 1839 3.863 2.419 3.931 + 123TRP CG 1840 3.668 2.343 3.944 + 123TRP CD1 1841 3.557 2.341 4.019 + 123TRP HD1 1842 3.556 2.351 4.125 + 123TRP CD2 1843 3.624 2.323 3.807 + 123TRP NE1 1844 3.447 2.317 3.939 + 123TRP HE1 1845 3.351 2.306 3.977 + 123TRP CE2 1846 3.483 2.301 3.807 + 123TRP CE3 1847 3.691 2.317 3.683 + 123TRP HE3 1848 3.797 2.335 3.680 + 123TRP CZ2 1849 3.412 2.270 3.691 + 123TRP HZ2 1850 3.306 2.252 3.695 + 123TRP CZ3 1851 3.621 2.286 3.566 + 123TRP HZ3 1852 3.676 2.282 3.474 + 123TRP CH2 1853 3.482 2.260 3.569 + 123TRP HH2 1854 3.429 2.236 3.478 + 123TRP C 1855 4.026 2.219 4.002 + 123TRP O 1856 4.094 2.247 3.904 + 124ILE N 1857 4.080 2.189 4.121 + 124ILE H 1858 4.018 2.161 4.196 + 124ILE CA 1859 4.223 2.196 4.151 + 124ILE HA 1860 4.278 2.231 4.063 + 124ILE CB 1861 4.249 2.300 4.262 + 124ILE HB 1862 4.357 2.304 4.275 + 124ILE CG1 1863 4.187 2.263 4.399 + 124ILE HG11 1864 4.084 2.300 4.405 + 124ILE HG12 1865 4.180 2.155 4.411 + 124ILE CG2 1866 4.205 2.442 4.218 + 124ILE HG21 1867 4.231 2.516 4.293 + 124ILE HG22 1868 4.253 2.471 4.125 + 124ILE HG23 1869 4.097 2.447 4.203 + 124ILE CD 1870 4.268 2.317 4.517 + 124ILE HD1 1871 4.224 2.286 4.612 + 124ILE HD2 1872 4.370 2.278 4.516 + 124ILE HD3 1873 4.273 2.426 4.517 + 124ILE C 1874 4.284 2.058 4.181 + 124ILE O 1875 4.406 2.047 4.200 + 125ARG N 1876 4.204 1.950 4.182 + 125ARG H 1877 4.105 1.963 4.165 + 125ARG CA 1878 4.254 1.813 4.191 + 125ARG HA 1879 4.325 1.807 4.274 + 125ARG CB 1880 4.141 1.711 4.214 + 125ARG HB1 1881 4.056 1.731 4.148 + 125ARG HB2 1882 4.176 1.611 4.189 + 125ARG CG 1883 4.096 1.709 4.360 + 125ARG HG1 1884 4.184 1.705 4.424 + 125ARG HG2 1885 4.047 1.803 4.384 + 125ARG CD 1886 4.005 1.591 4.395 + 125ARG HD1 1887 3.945 1.560 4.309 + 125ARG HD2 1888 4.064 1.504 4.425 + 125ARG NE 1889 3.918 1.630 4.505 + 125ARG HE 1890 3.969 1.666 4.587 + 125ARG CZ 1891 3.786 1.646 4.505 + 125ARG NH1 1892 3.708 1.615 4.401 + 125ARG HH11 1893 3.738 1.557 4.324 + 125ARG HH12 1894 3.607 1.630 4.412 + 125ARG NH2 1895 3.728 1.698 4.611 + 125ARG HH21 1896 3.768 1.707 4.703 + 125ARG HH22 1897 3.626 1.722 4.600 + 125ARG C 1898 4.327 1.775 4.062 + 125ARG O 1899 4.285 1.812 3.952 + 126GLY N 1900 4.441 1.710 4.079 + 126GLY H 1901 4.470 1.687 4.173 + 126GLY CA 1902 4.524 1.662 3.969 + 126GLY HA1 1903 4.570 1.569 3.999 + 126GLY HA2 1904 4.466 1.641 3.879 + 126GLY C 1905 4.636 1.761 3.938 + 126GLY O 1906 4.735 1.724 3.876 + 127CYS N 1907 4.622 1.886 3.982 + 127CYS H 1908 4.541 1.909 4.038 + 127CYS CA 1909 4.715 1.993 3.953 + 127CYS HA 1910 4.756 1.981 3.853 + 127CYS CB 1911 4.641 2.128 3.961 + 127CYS HB1 1912 4.620 2.155 4.064 + 127CYS HB2 1913 4.705 2.206 3.921 + 127CYS SG 1914 4.483 2.139 3.871 + 127CYS C 1915 4.827 1.991 4.058 + 127CYS O 1916 4.801 1.978 4.178 + 128ARG N 1917 4.952 2.006 4.012 + 128ARG H 1918 4.962 2.022 3.913 + 128ARG CA 1919 5.065 2.039 4.097 + 128ARG HA 1920 5.054 1.996 4.196 + 128ARG CB 1921 5.197 1.990 4.034 + 128ARG HB1 1922 5.190 1.988 3.925 + 128ARG HB2 1923 5.279 2.058 4.056 + 128ARG CG 1924 5.236 1.849 4.085 + 128ARG HG1 1925 5.148 1.785 4.082 + 128ARG HG2 1926 5.307 1.804 4.015 + 128ARG CD 1927 5.298 1.851 4.226 + 128ARG HD1 1928 5.237 1.909 4.296 + 128ARG HD2 1929 5.300 1.750 4.267 + 128ARG NE 1930 5.437 1.901 4.223 + 128ARG HE 1931 5.502 1.842 4.170 + 128ARG CZ 1932 5.490 2.005 4.287 + 128ARG NH1 1933 5.420 2.078 4.373 + 128ARG HH11 1934 5.327 2.056 4.406 + 128ARG HH12 1935 5.453 2.165 4.414 + 128ARG NH2 1936 5.615 2.041 4.261 + 128ARG HH21 1937 5.655 2.019 4.168 + 128ARG HH22 1938 5.667 2.111 4.314 + 128ARG C 1939 5.064 2.191 4.111 + 128ARG O 1940 5.091 2.264 4.015 + 129LEU N 1941 5.024 2.233 4.230 + 129LEU H 1942 5.012 2.164 4.302 + 129LEU CA 1943 5.022 2.368 4.283 + 129LEU HA 1944 5.051 2.443 4.210 + 129LEU CB 1945 4.876 2.393 4.334 + 129LEU HB1 1946 4.837 2.298 4.371 + 129LEU HB2 1947 4.878 2.455 4.423 + 129LEU CG 1948 4.773 2.453 4.232 + 129LEU HG 1949 4.773 2.561 4.246 + 129LEU CD1 1950 4.806 2.432 4.084 + 129LEU HD11 1951 4.727 2.469 4.019 + 129LEU HD12 1952 4.897 2.485 4.054 + 129LEU HD13 1953 4.821 2.327 4.062 + 129LEU CD2 1954 4.630 2.403 4.260 + 129LEU HD21 1955 4.559 2.441 4.187 + 129LEU HD22 1956 4.624 2.294 4.257 + 129LEU HD23 1957 4.594 2.435 4.358 + 129LEU C 1958 5.130 2.369 4.393 + 129LEU O1 1959 5.113 2.438 4.497 + 129LEU O2 1960 5.233 2.299 4.375 + 130SOL OW 1961 3.259 5.168 2.945 + 130SOL HW1 1962 3.254 5.191 3.042 + 130SOL HW2 1963 3.190 5.219 2.894 + 131SOL OW 1964 4.093 3.790 3.064 + 131SOL HW1 1965 4.185 3.793 3.103 + 131SOL HW2 1966 4.071 3.878 3.022 + 132SOL OW 1967 3.993 2.492 4.619 + 132SOL HW1 1968 4.025 2.512 4.711 + 132SOL HW2 1969 3.916 2.427 4.623 + 133SOL OW 1970 3.120 5.387 2.848 + 133SOL HW1 1971 3.023 5.401 2.865 + 133SOL HW2 1972 3.165 5.475 2.833 + 134SOL OW 1973 3.818 3.909 3.304 + 134SOL HW1 1974 3.756 3.964 3.360 + 134SOL HW2 1975 3.803 3.929 3.207 + 135SOL OW 1976 3.843 4.922 2.620 + 135SOL HW1 1977 3.846 4.993 2.549 + 135SOL HW2 1978 3.793 4.842 2.584 + 136SOL OW 1979 2.997 4.773 2.536 + 136SOL HW1 1980 3.076 4.804 2.589 + 136SOL HW2 1981 2.914 4.813 2.574 + 137SOL OW 1982 5.075 2.967 3.511 + 137SOL HW1 1983 5.115 2.879 3.488 + 137SOL HW2 1984 4.994 2.983 3.455 + 138SOL OW 1985 4.410 4.069 3.286 + 138SOL HW1 1986 4.488 4.014 3.258 + 138SOL HW2 1987 4.326 4.031 3.248 + 139SOL OW 1988 3.533 2.925 4.994 + 139SOL HW1 1989 3.506 2.867 5.071 + 139SOL HW2 1990 3.554 3.017 5.028 + 140SOL OW 1991 4.120 2.259 3.097 + 140SOL HW1 1992 4.024 2.278 3.119 + 140SOL HW2 1993 4.133 2.262 2.998 + 141SOL OW 1994 3.207 5.114 3.452 + 141SOL HW1 1995 3.231 5.155 3.364 + 141SOL HW2 1996 3.184 5.017 3.438 + 142SOL OW 1997 3.030 5.735 2.553 + 142SOL HW1 1998 3.108 5.684 2.518 + 142SOL HW2 1999 2.997 5.693 2.638 + 143SOL OW 2000 4.349 3.838 3.123 + 143SOL HW1 2001 4.438 3.822 3.166 + 143SOL HW2 2002 4.361 3.843 3.024 + 144SOL OW 2003 2.546 4.543 3.359 + 144SOL HW1 2004 2.642 4.565 3.374 + 144SOL HW2 2005 2.528 4.536 3.260 + 145SOL OW 2006 3.010 4.204 4.567 + 145SOL HW1 2007 2.951 4.155 4.503 + 145SOL HW2 2008 3.077 4.258 4.515 + 146SOL OW 2009 4.992 2.364 3.588 + 146SOL HW1 2010 4.988 2.433 3.660 + 146SOL HW2 2011 5.003 2.274 3.630 + 147SOL OW 2012 4.149 4.750 3.915 + 147SOL HW1 2013 4.122 4.824 3.854 + 147SOL HW2 2014 4.211 4.688 3.867 + 148SOL OW 2015 5.897 1.965 4.330 + 148SOL HW1 2016 5.928 2.051 4.371 + 148SOL HW2 2017 5.808 1.940 4.368 + 149SOL OW 2018 2.356 4.670 2.338 + 149SOL HW1 2019 2.358 4.645 2.435 + 149SOL HW2 2020 2.284 4.737 2.322 + 150SOL OW 2021 3.207 2.247 4.051 + 150SOL HW1 2022 3.225 2.232 4.149 + 150SOL HW2 2023 3.188 2.159 4.007 + 151SOL OW 2024 2.477 3.016 3.458 + 151SOL HW1 2025 2.384 3.002 3.423 + 151SOL HW2 2026 2.522 3.088 3.406 + 152SOL OW 2027 2.061 3.320 3.994 + 152SOL HW1 2028 1.965 3.301 4.012 + 152SOL HW2 2029 2.091 3.268 3.914 + 153SOL OW 2030 2.432 5.037 3.094 + 153SOL HW1 2031 2.482 5.119 3.066 + 153SOL HW2 2032 2.416 4.979 3.014 + 154SOL OW 2033 1.956 3.596 4.058 + 154SOL HW1 2034 2.042 3.565 4.099 + 154SOL HW2 2035 1.891 3.620 4.130 + 155SOL OW 2036 5.354 2.980 3.954 + 155SOL HW1 2037 5.406 2.947 4.032 + 155SOL HW2 2038 5.399 2.954 3.869 + 156SOL OW 2039 4.079 2.459 2.863 + 156SOL HW1 2040 4.122 2.539 2.904 + 156SOL HW2 2041 4.144 2.414 2.802 + 157SOL OW 2042 4.540 3.128 5.167 + 157SOL HW1 2043 4.500 3.124 5.258 + 157SOL HW2 2044 4.476 3.170 5.103 + 158SOL OW 2045 4.656 4.207 3.281 + 158SOL HW1 2046 4.558 4.190 3.268 + 158SOL HW2 2047 4.707 4.125 3.257 + 159SOL OW 2048 3.964 5.448 2.975 + 159SOL HW1 2049 4.002 5.511 2.907 + 159SOL HW2 2050 3.971 5.354 2.942 + 160SOL OW 2051 3.272 5.600 2.948 + 160SOL HW1 2052 3.361 5.558 2.931 + 160SOL HW2 2053 3.226 5.551 3.022 + 161SOL OW 2054 4.309 4.613 3.753 + 161SOL HW1 2055 4.408 4.599 3.749 + 161SOL HW2 2056 4.274 4.629 3.661 + 162SOL OW 2057 3.899 5.249 2.749 + 162SOL HW1 2058 3.983 5.257 2.696 + 162SOL HW2 2059 3.849 5.168 2.720 + 163SOL OW 2060 3.243 1.966 4.129 + 163SOL HW1 2061 3.156 1.940 4.172 + 163SOL HW2 2062 3.238 1.949 4.031 + 164SOL OW 2063 4.021 5.355 3.239 + 164SOL HW1 2064 3.959 5.408 3.181 + 164SOL HW2 2065 4.103 5.331 3.188 + 165SOL OW 2066 3.117 4.124 2.121 + 165SOL HW1 2067 3.024 4.160 2.124 + 165SOL HW2 2068 3.115 4.025 2.110 + 166SOL OW 2069 4.665 3.231 4.663 + 166SOL HW1 2070 4.752 3.279 4.656 + 166SOL HW2 2071 4.631 3.236 4.757 + 167SOL OW 2072 5.139 2.887 4.187 + 167SOL HW1 2073 5.206 2.909 4.258 + 167SOL HW2 2074 5.127 2.966 4.127 + 168SOL OW 2075 3.262 5.185 3.210 + 168SOL HW1 2076 3.348 5.134 3.217 + 168SOL HW2 2077 3.187 5.121 3.191 + 169SOL OW 2078 3.174 4.081 5.000 + 169SOL HW1 2079 3.183 4.158 5.064 + 169SOL HW2 2080 3.250 4.081 4.936 + 170SOL OW 2081 3.965 1.930 3.337 + 170SOL HW1 2082 3.868 1.935 3.358 + 170SOL HW2 2083 3.977 1.895 3.244 + 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2.517 0.017 + 1038SOL OW 4685 0.216 2.128 0.986 + 1038SOL HW1 4686 0.254 2.104 1.076 + 1038SOL HW2 4687 0.149 2.058 0.959 + 1039SOL OW 4688 0.020 2.253 0.629 + 1039SOL HW1 4689 7.269 2.288 0.654 + 1039SOL HW2 4690 0.014 2.155 0.610 + 1040SOL OW 4691 0.575 3.151 1.189 + 1040SOL HW1 4692 0.483 3.127 1.159 + 1040SOL HW2 4693 0.579 3.248 1.212 + 1041SOL OW 4694 1.563 3.375 0.708 + 1041SOL HW1 4695 1.520 3.350 0.795 + 1041SOL HW2 4696 1.492 3.381 0.637 + 1042SOL OW 4697 1.135 2.564 0.696 + 1042SOL HW1 4698 1.185 2.649 0.681 + 1042SOL HW2 4699 1.083 2.570 0.782 + 1043SOL OW 4700 1.775 2.464 0.207 + 1043SOL HW1 4701 1.716 2.488 0.131 + 1043SOL HW2 4702 1.732 2.391 0.261 + 1044SOL OW 4703 0.753 3.006 1.040 + 1044SOL HW1 4704 0.684 3.038 1.105 + 1044SOL HW2 4705 0.793 3.085 0.994 + 1045SOL OW 4706 0.874 2.629 1.821 + 1045SOL HW1 4707 0.858 2.698 1.891 + 1045SOL HW2 4708 0.897 2.673 1.734 + 1046SOL OW 4709 0.686 2.861 0.650 + 1046SOL HW1 4710 0.756 2.849 0.720 + 1046SOL HW2 4711 0.611 2.917 0.686 + 1047SOL OW 4712 0.712 3.017 1.817 + 1047SOL HW1 4713 0.764 3.096 1.848 + 1047SOL HW2 4714 0.626 3.047 1.775 + 1048SOL OW 4715 0.329 3.300 1.072 + 1048SOL HW1 4716 0.256 3.248 1.028 + 1048SOL HW2 4717 0.384 3.347 1.002 + 1049SOL OW 4718 1.458 3.362 1.357 + 1049SOL HW1 4719 1.514 3.445 1.365 + 1049SOL HW2 4720 1.388 3.363 1.427 + 1050SOL OW 4721 0.456 2.259 1.508 + 1050SOL HW1 4722 0.533 2.197 1.498 + 1050SOL HW2 4723 0.370 2.208 1.502 + 1051SOL OW 4724 1.611 2.310 0.743 + 1051SOL HW1 4725 1.530 2.325 0.686 + 1051SOL HW2 4726 1.619 2.384 0.810 + 1052SOL OW 4727 0.229 3.568 0.470 + 1052SOL HW1 4728 0.232 3.653 0.524 + 1052SOL HW2 4729 0.303 3.569 0.403 + 1053SOL OW 4730 1.137 3.202 1.697 + 1053SOL HW1 4731 1.182 3.200 1.787 + 1053SOL HW2 4732 1.081 3.119 1.687 + 1054SOL OW 4733 0.235 3.302 0.528 + 1054SOL HW1 4734 0.219 3.400 0.527 + 1054SOL HW2 4735 0.172 3.258 0.592 + 1055SOL OW 4736 0.295 2.959 0.922 + 1055SOL HW1 4737 0.289 2.869 0.966 + 1055SOL HW2 4738 0.228 3.021 0.964 + 1056SOL OW 4739 0.603 3.659 1.430 + 1056SOL HW1 4740 0.518 3.635 1.477 + 1056SOL HW2 4741 0.631 3.751 1.457 + 1057SOL OW 4742 0.580 2.844 0.158 + 1057SOL HW1 4743 0.614 2.888 0.075 + 1057SOL HW2 4744 0.629 2.880 0.238 + 1058SOL OW 4745 1.598 1.986 1.470 + 1058SOL HW1 4746 1.609 2.067 1.413 + 1058SOL HW2 4747 1.583 2.014 1.565 + 1059SOL OW 4748 0.135 2.517 0.572 + 1059SOL HW1 4749 0.101 2.423 0.583 + 1059SOL HW2 4750 0.127 2.565 0.660 + 1060SOL OW 4751 1.846 3.619 0.332 + 1060SOL HW1 4752 1.914 3.585 0.398 + 1060SOL HW2 4753 1.864 3.715 0.312 + 1061SOL OW 4754 0.052 3.445 0.121 + 1061SOL HW1 4755 0.031 3.349 0.139 + 1061SOL HW2 4756 0.026 3.499 0.201 + 1062SOL OW 4757 1.691 2.783 0.646 + 1062SOL HW1 4758 1.775 2.733 0.628 + 1062SOL HW2 4759 1.666 2.838 0.566 + 1063SOL OW 4760 1.651 2.966 0.433 + 1063SOL HW1 4761 1.736 2.969 0.382 + 1063SOL HW2 4762 1.654 3.033 0.507 + 1064SOL OW 4763 0.142 2.598 1.590 + 1064SOL HW1 4764 0.240 2.617 1.582 + 1064SOL HW2 4765 0.090 2.677 1.557 + 1065SOL OW 4766 0.615 3.254 0.733 + 1065SOL HW1 4767 0.569 3.166 0.746 + 1065SOL HW2 4768 0.601 3.286 0.639 + 1066SOL OW 4769 1.290 3.098 1.422 + 1066SOL HW1 4770 1.316 3.028 1.356 + 1066SOL HW2 4771 1.348 3.093 1.502 + 1067SOL OW 4772 0.817 1.871 0.511 + 1067SOL HW1 4773 0.861 1.958 0.491 + 1067SOL HW2 4774 0.719 1.884 0.519 + 1068SOL OW 4775 1.514 2.868 0.209 + 1068SOL HW1 4776 1.443 2.806 0.244 + 1068SOL HW2 4777 1.569 2.903 0.285 + 1069SOL OW 4778 1.185 3.672 1.622 + 1069SOL HW1 4779 1.190 3.739 1.548 + 1069SOL HW2 4780 1.202 3.581 1.585 + 1070SOL OW 4781 0.343 2.106 1.833 + 1070SOL HW1 4782 0.390 2.195 1.831 + 1070SOL HW2 4783 0.247 2.120 1.857 + 1071SOL OW 4784 1.465 3.281 0.949 + 1071SOL HW1 4785 1.397 3.301 1.020 + 1071SOL HW2 4786 1.457 3.186 0.919 + 1072SOL OW 4787 1.650 3.609 0.578 + 1072SOL HW1 4788 1.633 3.581 0.484 + 1072SOL HW2 4789 1.627 3.533 0.640 + 1073SOL OW 4790 0.597 2.578 0.270 + 1073SOL HW1 4791 0.598 2.663 0.217 + 1073SOL HW2 4792 0.528 2.585 0.342 + 1074SOL OW 4793 1.278 2.218 0.933 + 1074SOL HW1 4794 1.184 2.185 0.939 + 1074SOL HW2 4795 1.336 2.166 0.995 + 1075SOL OW 4796 1.585 3.535 0.313 + 1075SOL HW1 4797 1.682 3.562 0.308 + 1075SOL HW2 4798 1.552 3.516 0.220 + 1076SOL OW 4799 0.795 2.475 1.452 + 1076SOL HW1 4800 0.766 2.452 1.545 + 1076SOL HW2 4801 0.753 2.410 1.387 + 1077SOL OW 4802 1.392 2.333 1.679 + 1077SOL HW1 4803 1.391 2.382 1.766 + 1077SOL HW2 4804 1.453 2.254 1.686 + 1078SOL OW 4805 0.955 2.748 1.583 + 1078SOL HW1 4806 1.011 2.674 1.545 + 1078SOL HW2 4807 0.901 2.790 1.509 + 1079SOL OW 4808 0.994 2.268 1.232 + 1079SOL HW1 4809 0.905 2.293 1.270 + 1079SOL HW2 4810 0.980 2.220 1.145 + 1080SOL OW 4811 1.052 2.565 0.428 + 1080SOL HW1 4812 1.074 2.559 0.525 + 1080SOL HW2 4813 0.965 2.519 0.410 + 1081SOL OW 4814 0.108 2.689 0.782 + 1081SOL HW1 4815 0.194 2.666 0.828 + 1081SOL HW2 4816 0.071 2.773 0.821 + 1082SOL OW 4817 0.127 3.738 1.581 + 1082SOL HW1 4818 0.126 3.704 1.675 + 1082SOL HW2 4819 0.033 3.749 1.548 + 1083SOL OW 4820 0.900 2.217 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1092SOL HW1 4848 1.474 2.565 0.811 + 1092SOL HW2 4849 1.562 2.669 0.722 + 1093SOL OW 4850 0.468 3.126 1.731 + 1093SOL HW1 4851 0.443 3.135 1.635 + 1093SOL HW2 4852 0.385 3.125 1.787 + 1094SOL OW 4853 1.106 3.639 0.230 + 1094SOL HW1 4854 1.039 3.592 0.286 + 1094SOL HW2 4855 1.152 3.573 0.171 + 1095SOL OW 4856 0.206 2.144 1.497 + 1095SOL HW1 4857 0.128 2.197 1.462 + 1095SOL HW2 4858 0.173 2.058 1.535 + 1096SOL OW 4859 1.625 3.236 0.087 + 1096SOL HW1 4860 1.584 3.327 0.079 + 1096SOL HW2 4861 1.558 3.167 0.059 + 1097SOL OW 4862 0.468 3.598 0.326 + 1097SOL HW1 4863 0.506 3.663 0.391 + 1097SOL HW2 4864 0.540 3.566 0.264 + 1098SOL OW 4865 1.402 1.967 0.433 + 1098SOL HW1 4866 1.390 1.943 0.336 + 1098SOL HW2 4867 1.500 1.974 0.454 + 1099SOL OW 4868 0.270 3.658 1.230 + 1099SOL HW1 4869 0.312 3.587 1.287 + 1099SOL HW2 4870 0.253 3.622 1.138 + 1100SOL OW 4871 0.936 3.564 0.896 + 1100SOL HW1 4872 1.015 3.514 0.929 + 1100SOL HW2 4873 0.893 3.513 0.821 + 1101SOL OW 4874 0.398 2.552 0.472 + 1101SOL HW1 4875 0.425 2.456 0.483 + 1101SOL HW2 4876 0.304 2.564 0.504 + 1102SOL OW 4877 1.529 2.085 1.728 + 1102SOL HW1 4878 1.540 2.105 1.825 + 1102SOL HW2 4879 1.455 2.019 1.716 + 1103SOL OW 4880 0.615 1.959 0.134 + 1103SOL HW1 4881 0.707 1.923 0.123 + 1103SOL HW2 4882 0.563 1.946 0.049 + 1104SOL OW 4883 0.765 2.139 1.758 + 1104SOL HW1 4884 0.848 2.083 1.752 + 1104SOL HW2 4885 0.711 2.110 1.836 + 1105SOL OW 4886 0.876 3.380 1.192 + 1105SOL HW1 4887 0.855 3.343 1.102 + 1105SOL HW2 4888 0.947 3.324 1.235 + 1106SOL OW 4889 1.342 2.449 1.434 + 1106SOL HW1 4890 1.370 2.415 1.523 + 1106SOL HW2 4891 1.374 2.543 1.422 + 1107SOL OW 4892 0.820 3.256 0.940 + 1107SOL HW1 4893 0.909 3.242 0.897 + 1107SOL HW2 4894 0.749 3.258 0.870 + 1108SOL OW 4895 0.929 2.370 0.898 + 1108SOL HW1 4896 0.902 2.363 0.802 + 1108SOL HW2 4897 0.959 2.280 0.931 + 1109SOL OW 4898 0.549 1.926 0.504 + 1109SOL HW1 4899 0.464 1.920 0.555 + 1109SOL HW2 4900 0.548 2.007 0.445 + 1110SOL OW 4901 1.421 3.059 0.029 + 1110SOL HW1 4902 1.453 2.983 0.087 + 1110SOL HW2 4903 1.334 3.094 0.065 + 1111SOL OW 4904 0.272 1.898 0.198 + 1111SOL HW1 4905 0.311 1.971 0.142 + 1111SOL HW2 4906 0.346 1.838 0.230 + 1112SOL OW 4907 0.949 2.110 0.467 + 1112SOL HW1 4908 0.916 2.155 0.384 + 1112SOL HW2 4909 1.047 2.124 0.475 + 1113SOL OW 4910 1.078 2.544 1.456 + 1113SOL HW1 4911 1.000 2.482 1.460 + 1113SOL HW2 4912 1.162 2.490 1.451 + 1114SOL OW 4913 1.221 3.430 0.794 + 1114SOL HW1 4914 1.236 3.500 0.724 + 1114SOL HW2 4915 1.292 3.439 0.864 + 1115SOL OW 4916 0.474 3.015 0.728 + 1115SOL HW1 4917 0.413 2.994 0.805 + 1115SOL HW2 4918 0.424 3.004 0.642 + 1116SOL OW 4919 1.265 3.655 0.608 + 1116SOL HW1 4920 1.316 3.717 0.549 + 1116SOL HW2 4921 1.191 3.705 0.654 + 1117SOL OW 4922 1.016 2.395 0.050 + 1117SOL HW1 4923 0.973 2.485 0.037 + 1117SOL HW2 4924 1.097 2.405 0.108 + 1118SOL OW 4925 0.071 2.409 1.393 + 1118SOL HW1 4926 0.162 2.398 1.354 + 1118SOL HW2 4927 0.074 2.483 1.461 + 1119SOL OW 4928 0.569 2.086 1.169 + 1119SOL HW1 4929 0.613 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0.257 + 1128SOL HW2 4957 0.505 2.213 0.279 + 1129SOL OW 4958 1.753 3.102 1.563 + 1129SOL HW1 4959 1.843 3.060 1.551 + 1129SOL HW2 4960 1.764 3.196 1.596 + 1130SOL OW 4961 1.054 3.214 1.338 + 1130SOL HW1 4962 0.972 3.183 1.386 + 1130SOL HW2 4963 1.135 3.173 1.379 + 1131SOL OW 4964 1.614 3.492 1.657 + 1131SOL HW1 4965 1.598 3.526 1.564 + 1131SOL HW2 4966 1.699 3.440 1.659 + 1132SOL OW 4967 1.137 3.081 1.106 + 1132SOL HW1 4968 1.075 3.111 1.177 + 1132SOL HW2 4969 1.101 3.108 1.016 + 1133SOL OW 4970 1.626 2.959 1.079 + 1133SOL HW1 4971 1.622 3.025 1.155 + 1133SOL HW2 4972 1.549 2.975 1.018 + 1134SOL OW 4973 0.924 1.956 1.393 + 1134SOL HW1 4974 0.944 1.934 1.298 + 1134SOL HW2 4975 1.003 2.000 1.435 + 1135SOL OW 4976 0.979 2.976 1.722 + 1135SOL HW1 4977 0.885 2.996 1.748 + 1135SOL HW2 4978 0.982 2.894 1.665 + 1136SOL OW 4979 0.719 2.923 0.379 + 1136SOL HW1 4980 0.700 2.905 0.476 + 1136SOL HW2 4981 0.797 2.868 0.349 + 1137SOL OW 4982 0.460 2.637 1.232 + 1137SOL HW1 4983 0.512 2.660 1.315 + 1137SOL HW2 4984 0.368 2.674 1.239 + 1138SOL OW 4985 1.263 2.238 1.279 + 1138SOL HW1 4986 1.299 2.317 1.327 + 1138SOL HW2 4987 1.167 2.255 1.254 + 1139SOL OW 4988 0.070 3.431 1.358 + 1139SOL HW1 4989 0.044 3.510 1.303 + 1139SOL HW2 4990 0.170 3.425 1.362 + 1140SOL OW 4991 0.336 2.980 0.490 + 1140SOL HW1 4992 0.339 3.056 0.426 + 1140SOL HW2 4993 0.353 2.894 0.441 + 1141SOL OW 4994 0.551 2.400 0.862 + 1141SOL HW1 4995 0.565 2.461 0.784 + 1141SOL HW2 4996 0.614 2.425 0.936 + 1142SOL OW 4997 1.245 3.212 0.401 + 1142SOL HW1 4998 1.306 3.287 0.427 + 1142SOL HW2 4999 1.151 3.234 0.427 + 1143SOL OW 5000 1.285 3.323 1.146 + 1143SOL HW1 5001 1.343 3.327 1.228 + 1143SOL HW2 5002 1.230 3.241 1.148 + 1144SOL OW 5003 1.580 2.489 0.479 + 1144SOL HW1 5004 1.528 2.527 0.556 + 1144SOL HW2 5005 1.613 2.564 0.422 + 1145SOL OW 5006 0.351 3.395 1.318 + 1145SOL HW1 5007 0.332 3.354 1.228 + 1145SOL HW2 5008 0.449 3.409 1.328 + 1146SOL OW 5009 0.419 2.603 1.603 + 1146SOL HW1 5010 0.484 2.653 1.544 + 1146SOL HW2 5011 0.451 2.509 1.614 + 1147SOL OW 5012 1.608 2.647 1.684 + 1147SOL HW1 5013 1.517 2.687 1.681 + 1147SOL HW2 5014 1.664 2.687 1.612 + 1148SOL OW 5015 0.998 1.993 1.752 + 1148SOL HW1 5016 1.055 2.073 1.734 + 1148SOL HW2 5017 1.047 1.910 1.725 + 1149SOL OW 5018 0.494 1.896 1.749 + 1149SOL HW1 5019 0.449 1.840 1.679 + 1149SOL HW2 5020 0.437 1.976 1.770 + 1150SOL OW 5021 0.595 2.732 1.021 + 1150SOL HW1 5022 0.611 2.830 1.026 + 1150SOL HW2 5023 0.542 2.702 1.100 + 1151SOL OW 5024 1.353 2.719 1.025 + 1151SOL HW1 5025 1.261 2.711 0.986 + 1151SOL HW2 5026 1.400 2.631 1.017 + 1152SOL OW 5027 1.197 2.386 0.273 + 1152SOL HW1 5028 1.209 2.304 0.329 + 1152SOL HW2 5029 1.152 2.457 0.327 + 1153SOL OW 5030 0.308 2.060 1.236 + 1153SOL HW1 5031 0.273 2.105 1.318 + 1153SOL HW2 5032 0.295 1.961 1.245 + 1154SOL OW 5033 0.025 3.170 1.274 + 1154SOL HW1 5034 0.069 3.108 1.339 + 1154SOL HW2 5035 0.027 3.263 1.310 + 1155SOL OW 5036 0.728 2.494 1.055 + 1155SOL HW1 5037 0.802 2.472 0.991 + 1155SOL HW2 5038 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1691SOL OW 6644 0.137 2.515 6.159 + 1691SOL HW1 6645 0.102 2.422 6.167 + 1691SOL HW2 6646 0.128 2.562 6.247 + 1692SOL OW 6647 1.846 3.618 5.918 + 1692SOL HW1 6648 1.914 3.587 5.984 + 1692SOL HW2 6649 1.863 3.714 5.896 + 1693SOL OW 6650 0.041 3.440 5.708 + 1693SOL HW1 6651 0.037 3.340 5.710 + 1693SOL HW2 6652 7.335 3.477 5.789 + 1694SOL OW 6653 1.690 2.782 6.232 + 1694SOL HW1 6654 1.776 2.734 6.217 + 1694SOL HW2 6655 1.667 2.836 6.151 + 1695SOL OW 6656 1.652 2.967 6.017 + 1695SOL HW1 6657 1.741 2.965 5.972 + 1695SOL HW2 6658 1.654 3.034 6.092 + 1696SOL OW 6659 0.146 2.577 7.195 + 1696SOL HW1 6660 0.243 2.596 7.181 + 1696SOL HW2 6661 0.093 2.660 7.181 + 1697SOL OW 6662 0.615 3.254 6.319 + 1697SOL HW1 6663 0.569 3.166 6.331 + 1697SOL HW2 6664 0.601 3.286 6.225 + 1698SOL OW 6665 1.291 3.097 7.029 + 1698SOL HW1 6666 1.317 3.034 6.956 + 1698SOL HW2 6667 1.344 3.078 7.111 + 1699SOL OW 6668 0.817 1.870 6.093 + 1699SOL HW1 6669 0.862 1.956 6.072 + 1699SOL HW2 6670 0.719 1.885 6.102 + 1700SOL OW 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1727SOL HW1 6753 1.586 3.334 5.658 + 1727SOL HW2 6754 1.554 3.174 5.654 + 1728SOL OW 6755 0.468 3.600 5.901 + 1728SOL HW1 6756 0.508 3.661 5.969 + 1728SOL HW2 6757 0.540 3.563 5.842 + 1729SOL OW 6758 1.401 1.967 6.020 + 1729SOL HW1 6759 1.389 1.941 5.925 + 1729SOL HW2 6760 1.499 1.975 6.041 + 1730SOL OW 6761 0.267 3.659 6.820 + 1730SOL HW1 6762 0.310 3.593 6.881 + 1730SOL HW2 6763 0.253 3.617 6.730 + 1731SOL OW 6764 0.936 3.564 6.484 + 1731SOL HW1 6765 1.019 3.517 6.514 + 1731SOL HW2 6766 0.894 3.512 6.409 + 1732SOL OW 6767 0.401 2.548 6.061 + 1732SOL HW1 6768 0.427 2.452 6.070 + 1732SOL HW2 6769 0.306 2.560 6.089 + 1733SOL OW 6770 0.641 1.980 5.686 + 1733SOL HW1 6771 0.708 1.911 5.711 + 1733SOL HW2 6772 0.585 1.947 5.610 + 1734SOL OW 6773 0.760 2.148 7.310 + 1734SOL HW1 6774 0.828 2.085 0.009 + 1734SOL HW2 6775 0.688 2.164 0.038 + 1735SOL OW 6776 0.874 3.375 6.778 + 1735SOL HW1 6777 0.855 3.340 6.686 + 1735SOL HW2 6778 0.950 3.324 6.818 + 1736SOL OW 6779 1.341 2.453 7.031 + 1736SOL 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1818SOL OW 7025 0.825 2.872 6.964 + 1818SOL HW1 7026 0.876 2.852 6.880 + 1818SOL HW2 7027 0.824 2.970 6.980 + 1819SOL OW 7028 0.919 2.772 5.871 + 1819SOL HW1 7029 0.981 2.808 5.802 + 1819SOL HW2 7030 0.965 2.701 5.925 + 1820SOL OW 7031 1.489 3.490 5.628 + 1820SOL HW1 7032 1.390 3.480 5.617 + 1820SOL HW2 7033 1.531 3.496 5.538 + 1821SOL OW 7034 0.355 3.178 7.084 + 1821SOL HW1 7035 0.353 3.254 7.019 + 1821SOL HW2 7036 0.281 3.115 7.063 + 1822SOL OW 7037 1.617 3.145 6.874