############################################################### ############################################################### ############################################################### ### CCP4 7.0.078: Refmac version 5.8.0258 : 09/10/19## ############################################################### User: maly Run date: 26/ 5/2020 Run time: 11:37:16 Please reference: Collaborative Computational Project, Number 4. 2011. "Overview of the CCP4 suite and current developments". Acta Cryst. D67, 235-242. as well as any specific reference in the program write-up.$TEXT:Reference1: $$ Primary reference $$ "Overview of refinement procedures within REFMAC5: utilizing data from different sources" O.Kovalevskiy, R.A.Nicholls, F.Long, G.N.Murshudov,(2018) Acta Crystallogr. D74, 492-505 $$ $SUMMARY :Reference1: $$ Refmac: $$ :TEXT:Reference1: $$ $TEXT:Reference1: $$ Primary reference for EM $$ "Current approaches for the fitting and refinement of atomic models into cryo-EM maps using CCP-EM R.A. Nicholls, M. Tykac, O.Kovalevskiy, G.N.Murshudov,(2018) Acta Crystallogr. D74, 215-227 $$ $SUMMARY :Reference2: $$ Refmac: $$ :TEXT:Reference1: $$ $TEXT:Reference1: $$ Secondary reference $$ "REFMAC5 for the refinement of macromolecular crystal structures:" G.N.Murshudov, P.Skubak, A.A.Lebedev, N.S.Pannu, R.A.Steiner, R.A.Nicholls, M.D.Winn, F.Long and A.A.Vagin,(2011) Acta Crystallogr. D67, 355-367 $$ $SUMMARY :Reference3: $$ Refmac: $$ :TEXT:Reference1: $$ $TEXT:Reference2: $$ Secondary reference $$ "Refinement of Macromolecular Structures by the Maximum-Likelihood Method:" G.N. Murshudov, A.A.Vagin and E.J.Dodson,(1997) Acta Crystallogr. D53, 240-255 EU Validation contract: BIO2CT-92-0524 $$ $SUMMARY :Reference4: $$ Refmac: $$ :TEXT:Reference2: $$ Data line--- make check NONE Data line--- refi type REST reso 42.68 1.44 resi MLKF meth CGMAT bref MIXED Data line--- scal type SIMP LSSC ANISO EXPE Data line--- solvent YES Data line--- ncyc 15 Data line--- bins 11 Data line--- monitor MEDIum Data line--- free 0 Data line--- END OPENED INPUT MTZ FILE Logical Name: HKLIN Filename: EP_R.mtz LABIN FP=FP SIGFP=SIGFP FREE=FREE **** Input and Default parameters# **** Input coordinate file. Logical name - XYZIN actual file name - 4Y4G_noW_noLIG_shaken.pdb Output coordinate file. Logical name - XYZOUT actual file name - EP_R00_1-44A.pdb Input reflection file. Logical name - HKLIN actual file name - EP_R.mtz Output reflection file. Logical name - HKLOUT actual file name - EP_R00_1-44A.mtz Cell from mtz : 45.203 73.097 52.573 90.000 109.248 90.000 Space group from mtz: number - 4; name - P 1 21 1 Refinement type : Restrained **** Makecif parameters **** Dictionary files for restraints : /protein2/ccp4/ccp4-7.0/ccp4-7.0/lib/data/monomers/mon*cif Parameters for new entry and VDW: /protein2/ccp4/ccp4-7.0/ccp4-7.0/lib/data/monomers/ener_lib.cif Program will rely on residue and atom names. No checking If this option is used then monomers should be checked carefully before using Hydrogens will be restored in their riding positions Links between monomers will be checked. Only those links present in the coordinate file will be used Standard sugar links will be analysed and used For new ligands "ideal restraint" values will be taken from the energetic libary ener_lib.cif Symmetry related links will be analysed and used Cis peptides will be found and used automatically Residual : Rice Maximum Likelihood for Fs **** Least-square scaling parameters **** Overall scale Overall B value Overall anisotropic B with tr(B) = 0.0 Constant bulk solvent in non protein region Probe radii for non-ions 1.200 Probe radii for ions 0.800 Shrinkage of the mask by 0.800 **** Map sharpening parameters and methods **** No map sharpening will be performed Method of minimisation : Sparse Matrix Experimental sigmas used for weighting Number of Bins and width: 11 0.0438 Refinement of mixed isotropic and anisotropic Bfactors Refinement resln : 42.6836 1.4400 Estimated number of reflections : 84537 Free R exclusion - flag equals: 0 Auto weighting. An attempt Refinement cycles : 15 Scaling type : Wilson scaling type with Guassians Estimation of D/Sigma in resolution bins using free set of reflns with experimental sigmas using free set of reflns with experimental sigmas Scaling and SigmaA resln: 42.6836 1.4400 Damping factors: 1.0000 1.0000 1.0000 **** Geometry restraints and weights **** Sigma: Bonding distances Weight = 1.00 Bond angles Weight = 1.00 Planar groups (all and main chain) WEIGHT= 1.00 1.00 Chiral centers Weight= 1.00 NON-BONDED CONTACTS Overall weight = 1.00 Sigma for simple VDW = 0.20 Sigma for VDW trhough torsion angle = 0.20 Sigma for HBOND = 0.20 Sigma for metal-ion = 0.20 Sigma for DUMMY and other atom = 0.30 Distance for donor-accepetor = vdw1+vdw2+(-0.30) Distance for acceptor - H = vdw1+ ( 0.10) VDW distance through torsion = vdw1+vdw2+(-0.30) Distance for DUMMY-others = vdw1+vdw2+(-0.70) TORSION ANGLES Weight= 1.00 THERMAL FACTORS Weight= 1.00 Main chain bond (1-2 neighbour) 1.5A**2 Main chain angle (1-3 neighbour) 2.0A**2 Side chain bond 3.0A**2 Side chain angle 4.5A**2 RESTRAINTS AGAINST EXCESSIVE SHIFTS Positional parameters 0.00A Thermal parameters 0.00A Occupancy parameters 0.00 RADIUS OF CONFIDENCE Positional parameters 0.00A Thermal parameters 0.00A**2 Occupancy parameters 0.00 Monitoring style is "MEDIUM". Complete information will be printed out in the first and last cycle. In all other cycles minimum information will be printed out Sigma cutoffs for printing out outliers If deviation of restraint parameter > alpha*sigma then information will be printed out Distance outliers 10.000 Angle outliers 10.000 Torsion outliers 10.000 Chiral volume outliers 10.000 Plane outliers 10.000 Non-bonding outliers 10.000 B value outliers 10.000 Rigid bond outliers 10.000 Sphericity outliers 10.000 --------------------------------------------------------------- Input file :4Y4G_noW_noLIG_shaken.pdb ------------------------------ --- LIBRARY OF MONOMERS --- _lib_name mon_lib _lib_version 5.51 _lib_update 11/07/18 ------------------------------ NUMBER OF MONOMERS IN THE LIBRARY : 24624 with complete description : 24624 NUMBER OF MODIFICATIONS : 70 NUMBER OF LINKS : 77 I am reading libraries. Please wait. - energy parameters - monomer"s description (links & mod ) Number of atoms : 2459 Number of residues : 330 Number of chains : 1 I am reading library. Please wait. mon_lib.cif WARNING : CIS peptide bond is found, angle = 28.52 ch:AAA res: 25 THR --> 26 PRO WARNING : CIS peptide bond is found, angle = 36.53 ch:AAA res: 137 SER --> 138 PRO WARNING : link:SS is found dist = 2.029 ideal_dist= 2.031 ch:AAA res: 255 CYS at:SG .->AAA res: 290 CYS at:SG . -------------------------------- --- title of input coord file --- PDB_code:xxxx PDB_name:---- PDB_date:XX-XXX-XX -------------------------------- ATTENTION: atom:OXT ILE 18 AAA is missing in the structure ATTENTION: atom:CE LYS 63 AAA is missing in the structure ATTENTION: atom:NZ LYS 63 AAA is missing in the structure ATTENTION: atom:OXT SER 64 AAA is missing in the structure ATTENTION: atom:CD LYS 68 AAA is missing in the structure ATTENTION: atom:CE LYS 68 AAA is missing in the structure ATTENTION: atom:NZ LYS 68 AAA is missing in the structure ATTENTION: atom:CE LYS 110 AAA is missing in the structure ATTENTION: atom:NZ LYS 110 AAA is missing in the structure ATTENTION: atom:OXT SER 115 AAA is missing in the structure ATTENTION: atom:NZ LYS 142 AAA is missing in the structure ATTENTION: atom:NZ LYS 149 AAA is missing in the structure ATTENTION: atom:OXT TYR 163 AAA is missing in the structure ATTENTION: atom:OXT PHE 173 AAA is missing in the structure ATTENTION: atom:OXT THR 176 AAA is missing in the structure ATTENTION: atom:CG LYS 191 AAA is missing in the structure ATTENTION: atom:CD LYS 191 AAA is missing in the structure ATTENTION: atom:CE LYS 191 AAA is missing in the structure ATTENTION: atom:NZ LYS 191 AAA is missing in the structure ATTENTION: atom:OXT LYS 191 AAA is missing in the structure ... and more ... Number of chains : 1 Total number of monomers : 330 Number of atoms : 4883 Number of missing atoms : 0 Number of rebuilt atoms : 2364 Number of unknown atoms : 0 Number of deleted atoms : 0 _ccp4_form_factor.scat_method 'Sum of Gaussians' _ccp4_form_factor.scat_data_source X-ray loop_ _atom_type_symbol _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c N 12.2220 0.0057 3.1346 9.8933 2.0141 28.9975 1.1672 0.5826 -11.5379 H 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7997 0.0030 C 2.3103 20.8439 1.0201 10.2075 1.5888 0.5687 0.8651 51.6512 0.2156 O 3.0487 13.2771 2.2870 5.7011 1.5464 0.3239 0.8671 32.9089 0.2508 S 6.9054 1.4679 5.2035 22.2151 1.4379 0.2536 1.5863 56.1720 1.0317 Number of distances : 0 Number of angles : 0 Number of torsions : 0 Number of planes : 0 Number of chirals : 0 Number of intervals : 0 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Standard External All Bonds: 4730 0 4730 Angles: 8624 0 8624 Chirals: 376 0 376 Planes: 765 0 765 Torsions: 2587 0 2587 Intervals: 0 0 0 -------------------------------------------------------------------------------- Number of harmonic restraints = 0 Number of atoms in special position = 0 ----------------------------------------------------- **** Info from mtz file **** FreeR flag 0 Number of "free" reflections 2913 Number of all reflections 58406 -------------------------------------------------------------------------------- Number of reflections in file 149916 Number of reflections read 58406 Current auto weighting coefficient = 6.0996461 mode : HKRF ###### TLS Group Definitions ###### CGMAT cycle number = 1 **** Bond distance outliers **** Bond distance deviations from the ideal >10.000Sigma will be monitored A 1 SER N . - A 1 SER CA A mod.= 1.093 id.= 1.491 dev= 0.398 sig.= 0.021 A 1 SER CA A - A 1 SER C . mod.= 1.715 id.= 1.533 dev= -0.182 sig.= 0.011 A 1 SER CB A - A 1 SER OG A mod.= 1.903 id.= 1.420 dev= -0.483 sig.= 0.014 A 1 SER CB B - A 1 SER OG B mod.= 1.164 id.= 1.420 dev= 0.256 sig.= 0.014 A 2 THR CA . - A 2 THR C . mod.= 1.130 id.= 1.533 dev= 0.403 sig.= 0.011 A 2 THR CB . - A 2 THR CG2 . mod.= 1.881 id.= 1.513 dev= -0.368 sig.= 0.010 A 2 THR C . - A 2 THR O . mod.= 1.471 id.= 1.247 dev= -0.224 sig.= 0.019 A 2 THR C . - A 3 GLY N . mod.= 1.198 id.= 1.337 dev= 0.139 sig.= 0.011 A 3 GLY N . - A 3 GLY CA . mod.= 1.855 id.= 1.476 dev= -0.379 sig.= 0.010 A 3 GLY C . - A 3 GLY O . mod.= 1.001 id.= 1.247 dev= 0.246 sig.= 0.019 A 3 GLY C . - A 4 SER N . mod.= 1.488 id.= 1.337 dev= -0.151 sig.= 0.011 A 4 SER N . - A 4 SER CA . mod.= 1.216 id.= 1.487 dev= 0.271 sig.= 0.010 A 4 SER CA . - A 4 SER CB . mod.= 1.748 id.= 1.507 dev= -0.241 sig.= 0.018 A 4 SER CB . - A 4 SER OG . mod.= 1.218 id.= 1.420 dev= 0.202 sig.= 0.014 A 4 SER C . - A 4 SER O . mod.= 1.565 id.= 1.247 dev= -0.318 sig.= 0.019 A 4 SER C . - A 5 ALA N . mod.= 1.036 id.= 1.337 dev= 0.301 sig.= 0.011 A 5 ALA CA . - A 5 ALA CB . mod.= 1.652 id.= 1.509 dev= -0.143 sig.= 0.014 A 5 ALA CA . - A 5 ALA C . mod.= 1.643 id.= 1.533 dev= -0.110 sig.= 0.011 A 6 THR CA . - A 6 THR CB . mod.= 1.334 id.= 1.534 dev= 0.200 sig.= 0.010 A 6 THR CA . - A 6 THR C . mod.= 1.405 id.= 1.533 dev= 0.128 sig.= 0.011 A 6 THR CB . - A 6 THR CG2 . mod.= 1.616 id.= 1.513 dev= -0.103 sig.= 0.010 A 7 THR N . - A 7 THR CA . mod.= 1.213 id.= 1.488 dev= 0.275 sig.= 0.011 A 7 THR CA . - A 7 THR C . mod.= 1.867 id.= 1.533 dev= -0.334 sig.= 0.011 A 7 THR CB . - A 7 THR OG1 . mod.= 1.589 id.= 1.428 dev= -0.161 sig.= 0.010 A 7 THR CB . - A 7 THR CG2 . mod.= 1.354 id.= 1.513 dev= 0.159 sig.= 0.010 A 7 THR C . - A 7 THR O . mod.= 1.564 id.= 1.247 dev= -0.317 sig.= 0.019 A 7 THR C . - A 8 THR N . mod.= 1.025 id.= 1.337 dev= 0.312 sig.= 0.011 A 8 THR CA . - A 8 THR CB . mod.= 1.921 id.= 1.534 dev= -0.387 sig.= 0.010 A 8 THR CA . - A 8 THR C . mod.= 1.271 id.= 1.526 dev= 0.255 sig.= 0.010 A 8 THR CB . - A 8 THR OG1 . mod.= 1.648 id.= 1.428 dev= -0.220 sig.= 0.010 A 9 PRO N . - A 9 PRO CA . mod.= 1.719 id.= 1.464 dev= -0.255 sig.= 0.010 A 9 PRO CA . - A 9 PRO CB . mod.= 1.267 id.= 1.534 dev= 0.267 sig.= 0.013 A 9 PRO CA . - A 9 PRO C . mod.= 1.431 id.= 1.536 dev= 0.105 sig.= 0.010 A 9 PRO CB . - A 9 PRO CG . mod.= 1.784 id.= 1.508 dev= -0.276 sig.= 0.020 A 9 PRO CG . - A 9 PRO CD . mod.= 1.718 id.= 1.515 dev= -0.203 sig.= 0.012 A 9 PRO C . - A 10 ILE N . mod.= 1.632 id.= 1.337 dev= -0.295 sig.= 0.011 A 10 ILE CA . - A 10 ILE CB . mod.= 1.745 id.= 1.542 dev= -0.203 sig.= 0.011 A 10 ILE CA . - A 10 ILE C . mod.= 1.416 id.= 1.533 dev= 0.117 sig.= 0.011 A 10 ILE CB . - A 10 ILE CG1 . mod.= 1.901 id.= 1.531 dev= -0.370 sig.= 0.010 A 10 ILE CG1 . - A 10 ILE CD1 . mod.= 1.057 id.= 1.511 dev= 0.454 sig.= 0.020 A 10 ILE C . - A 11 ASP N . mod.= 1.486 id.= 1.337 dev= -0.149 sig.= 0.011 A 11 ASP N . - A 11 ASP CA . mod.= 1.707 id.= 1.488 dev= -0.219 sig.= 0.010 A 11 ASP CA . - A 11 ASP CB . mod.= 1.249 id.= 1.531 dev= 0.282 sig.= 0.011 A 11 ASP CB . - A 11 ASP CG . mod.= 1.808 id.= 1.519 dev= -0.289 sig.= 0.012 A 11 ASP C . - A 12 SER N . mod.= 1.005 id.= 1.337 dev= 0.332 sig.= 0.011 A 12 SER N . - A 12 SER CA . mod.= 1.678 id.= 1.487 dev= -0.191 sig.= 0.010 A 12 SER CA . - A 12 SER C . mod.= 1.756 id.= 1.533 dev= -0.223 sig.= 0.011 A 12 SER C . - A 12 SER O . mod.= 0.853 id.= 1.247 dev= 0.394 sig.= 0.019 A 12 SER C . - A 13 LEU N . mod.= 1.493 id.= 1.337 dev= -0.156 sig.= 0.011 A 13 LEU CA . - A 13 LEU CB . mod.= 1.370 id.= 1.532 dev= 0.162 sig.= 0.010 A 13 LEU CA . - A 13 LEU C . mod.= 1.680 id.= 1.533 dev= -0.147 sig.= 0.011 A 13 LEU CB . - A 13 LEU CG . mod.= 1.818 id.= 1.528 dev= -0.290 sig.= 0.011 A 13 LEU CG . - A 13 LEU CD2 . mod.= 1.800 id.= 1.521 dev= -0.279 sig.= 0.015 A 14 ASP C . - A 14 ASP O . mod.= 1.469 id.= 1.247 dev= -0.222 sig.= 0.019 A 14 ASP C . - A 15 ASP N . mod.= 1.031 id.= 1.337 dev= 0.306 sig.= 0.011 A 15 ASP CA . - A 15 ASP CB . mod.= 1.066 id.= 1.531 dev= 0.465 sig.= 0.011 A 15 ASP CB . - A 15 ASP CG . mod.= 1.737 id.= 1.519 dev= -0.218 sig.= 0.012 A 15 ASP C . - A 16 ALA N . mod.= 1.607 id.= 1.337 dev= -0.270 sig.= 0.011 A 16 ALA N . - A 16 ALA CA . mod.= 1.208 id.= 1.482 dev= 0.274 sig.= 0.010 A 16 ALA CA . - A 16 ALA CB . mod.= 1.946 id.= 1.509 dev= -0.437 sig.= 0.014 A 16 ALA CA . - A 16 ALA C . mod.= 1.336 id.= 1.533 dev= 0.197 sig.= 0.011 A 16 ALA C . - A 17 TYR N . mod.= 1.142 id.= 1.337 dev= 0.195 sig.= 0.011 A 17 TYR N . - A 17 TYR CA . mod.= 1.809 id.= 1.487 dev= -0.322 sig.= 0.010 A 17 TYR CA . - A 17 TYR CB . mod.= 1.713 id.= 1.531 dev= -0.182 sig.= 0.010 A 17 TYR CA . - A 17 TYR C . mod.= 1.151 id.= 1.533 dev= 0.382 sig.= 0.011 A 17 TYR CE1 . - A 17 TYR CZ . mod.= 1.508 id.= 1.383 dev= -0.125 sig.= 0.010 A 17 TYR CZ . - A 17 TYR OH . mod.= 1.660 id.= 1.365 dev= -0.295 sig.= 0.012 A 17 TYR CZ . - A 17 TYR CE2 . mod.= 1.230 id.= 1.383 dev= 0.153 sig.= 0.010 A 17 TYR CE2 . - A 17 TYR CD2 . mod.= 1.543 id.= 1.385 dev= -0.158 sig.= 0.010 A 17 TYR C . - A 17 TYR O . mod.= 1.629 id.= 1.247 dev= -0.382 sig.= 0.019 A 17 TYR C . - A 18 ILE N . mod.= 1.065 id.= 1.337 dev= 0.272 sig.= 0.011 A 18 ILE N . - A 18 ILE CA . mod.= 1.186 id.= 1.494 dev= 0.308 sig.= 0.010 A 18 ILE CA . - A 18 ILE CB . mod.= 1.849 id.= 1.542 dev= -0.307 sig.= 0.011 A 18 ILE CA . - A 18 ILE C . mod.= 1.829 id.= 1.533 dev= -0.296 sig.= 0.011 A 18 ILE CB . - A 18 ILE CG2 . mod.= 1.275 id.= 1.521 dev= 0.246 sig.= 0.014 A 18 ILE C . - A 18 ILE O . mod.= 0.799 id.= 1.247 dev= 0.448 sig.= 0.019 A 19 THR N . - A 19 THR CA . mod.= 1.173 id.= 1.488 dev= 0.315 sig.= 0.011 A 19 THR CA . - A 19 THR CB . mod.= 1.747 id.= 1.534 dev= -0.213 sig.= 0.010 A 19 THR CA . - A 19 THR C . mod.= 1.192 id.= 1.526 dev= 0.334 sig.= 0.010 A 19 THR CB . - A 19 THR OG1 . mod.= 1.544 id.= 1.428 dev= -0.116 sig.= 0.010 A 19 THR C . - A 19 THR O . mod.= 1.445 id.= 1.229 dev= -0.216 sig.= 0.012 A 19 THR C . - A 20 PRO N . mod.= 1.598 id.= 1.352 dev= -0.246 sig.= 0.010 A 20 PRO N . - A 20 PRO CA . mod.= 1.250 id.= 1.464 dev= 0.214 sig.= 0.010 A 20 PRO N . - A 20 PRO CD . mod.= 1.299 id.= 1.473 dev= 0.174 sig.= 0.011 A 20 PRO CG . - A 20 PRO CD . mod.= 1.329 id.= 1.515 dev= 0.186 sig.= 0.012 A 20 PRO C . - A 21 VAL N . mod.= 1.222 id.= 1.337 dev= 0.115 sig.= 0.011 A 21 VAL N . - A 21 VAL CA . mod.= 1.764 id.= 1.494 dev= -0.270 sig.= 0.010 A 21 VAL CA . - A 21 VAL CB . mod.= 1.667 id.= 1.541 dev= -0.126 sig.= 0.010 A 22 GLN N . - A 22 GLN CA . mod.= 1.150 id.= 1.488 dev= 0.338 sig.= 0.011 A 22 GLN CA . - A 22 GLN CB . mod.= 1.404 id.= 1.530 dev= 0.126 sig.= 0.011 A 22 GLN CA . - A 22 GLN C . mod.= 1.738 id.= 1.533 dev= -0.205 sig.= 0.011 A 22 GLN CG . - A 22 GLN CD . mod.= 1.667 id.= 1.509 dev= -0.158 sig.= 0.010 A 22 GLN CD . - A 22 GLN OE1 . mod.= 1.052 id.= 1.229 dev= 0.177 sig.= 0.012 A 22 GLN CD . - A 22 GLN NE2 . mod.= 1.580 id.= 1.323 dev= -0.257 sig.= 0.011 A 22 GLN C . - A 23 ILE N . mod.= 1.673 id.= 1.337 dev= -0.336 sig.= 0.011 A 23 ILE CA . - A 23 ILE CB . mod.= 1.751 id.= 1.542 dev= -0.209 sig.= 0.011 A 23 ILE CB . - A 23 ILE CG2 . mod.= 1.666 id.= 1.521 dev= -0.145 sig.= 0.014 A 23 ILE CG1 . - A 23 ILE CD1 . mod.= 0.992 id.= 1.511 dev= 0.519 sig.= 0.020 A 23 ILE C . - A 24 GLY N . mod.= 0.946 id.= 1.337 dev= 0.391 sig.= 0.011 A 24 GLY N . - A 24 GLY CA . mod.= 1.759 id.= 1.476 dev= -0.283 sig.= 0.010 A 24 GLY CA . - A 24 GLY C . mod.= 1.249 id.= 1.519 dev= 0.270 sig.= 0.012 A 24 GLY C . - A 25 THR N . mod.= 1.191 id.= 1.337 dev= 0.146 sig.= 0.011 A 25 THR N . - A 25 THR CA . mod.= 1.361 id.= 1.488 dev= 0.127 sig.= 0.011 A 25 THR CA . - A 25 THR CB . mod.= 1.939 id.= 1.534 dev= -0.405 sig.= 0.010 A 25 THR CA . - A 25 THR C . mod.= 1.374 id.= 1.526 dev= 0.152 sig.= 0.010 A 25 THR CB . - A 25 THR OG1 . mod.= 1.588 id.= 1.428 dev= -0.160 sig.= 0.010 A 25 THR CB . - A 25 THR CG2 . mod.= 1.621 id.= 1.513 dev= -0.108 sig.= 0.010 A 25 THR C . - A 25 THR O . mod.= 1.568 id.= 1.229 dev= -0.339 sig.= 0.012 A 25 THR C . - A 26 PRO N . mod.= 1.242 id.= 1.352 dev= 0.110 sig.= 0.010 A 26 PRO N . - A 26 PRO CA . mod.= 1.748 id.= 1.464 dev= -0.284 sig.= 0.010 A 26 PRO N . - A 26 PRO CD . mod.= 1.740 id.= 1.473 dev= -0.267 sig.= 0.011 A 26 PRO CA . - A 26 PRO C . mod.= 1.172 id.= 1.536 dev= 0.364 sig.= 0.010 A 26 PRO CG . - A 26 PRO CD . mod.= 1.810 id.= 1.515 dev= -0.295 sig.= 0.012 A 26 PRO C . - A 26 PRO O . mod.= 1.683 id.= 1.218 dev= -0.465 sig.= 0.020 A 27 ALA CA . - A 27 ALA C . mod.= 1.643 id.= 1.533 dev= -0.110 sig.= 0.011 A 28 GLN N . - A 28 GLN CA . mod.= 1.752 id.= 1.488 dev= -0.264 sig.= 0.011 A 28 GLN CA . - A 28 GLN C . mod.= 1.039 id.= 1.533 dev= 0.494 sig.= 0.011 A 28 GLN CB . - A 28 GLN CG . mod.= 1.771 id.= 1.522 dev= -0.249 sig.= 0.013 A 28 GLN CG . - A 28 GLN CD . mod.= 1.672 id.= 1.509 dev= -0.163 sig.= 0.010 A 28 GLN CD . - A 28 GLN OE1 . mod.= 1.067 id.= 1.229 dev= 0.162 sig.= 0.012 A 28 GLN CD . - A 28 GLN NE2 . mod.= 1.446 id.= 1.323 dev= -0.123 sig.= 0.011 A 28 GLN C . - A 28 GLN O . mod.= 1.542 id.= 1.247 dev= -0.295 sig.= 0.019 A 29 THR CA . - A 29 THR CB . mod.= 1.746 id.= 1.534 dev= -0.212 sig.= 0.010 A 29 THR CB . - A 29 THR CG2 . mod.= 1.397 id.= 1.513 dev= 0.116 sig.= 0.010 A 29 THR C . - A 29 THR O . mod.= 1.702 id.= 1.247 dev= -0.455 sig.= 0.019 A 29 THR C . - A 30 LEU N . mod.= 0.954 id.= 1.337 dev= 0.383 sig.= 0.011 A 30 LEU N . - A 30 LEU CA . mod.= 1.929 id.= 1.488 dev= -0.441 sig.= 0.011 A 30 LEU CA . - A 30 LEU CB . mod.= 1.076 id.= 1.532 dev= 0.456 sig.= 0.010 A 30 LEU CA . - A 30 LEU C . mod.= 1.845 id.= 1.533 dev= -0.312 sig.= 0.011 A 30 LEU CB . - A 30 LEU CG . mod.= 1.639 id.= 1.528 dev= -0.111 sig.= 0.011 A 31 ASN CA . - A 31 ASN CB . mod.= 1.794 id.= 1.531 dev= -0.263 sig.= 0.011 A 31 ASN CA . - A 31 ASN C . mod.= 1.381 id.= 1.533 dev= 0.152 sig.= 0.011 A 31 ASN CB . - A 31 ASN CG . mod.= 1.246 id.= 1.514 dev= 0.268 sig.= 0.010 A 31 ASN CG . - A 31 ASN OD1 . mod.= 1.482 id.= 1.229 dev= -0.253 sig.= 0.012 A 31 ASN CG . - A 31 ASN ND2 . mod.= 1.537 id.= 1.323 dev= -0.214 sig.= 0.011 A 32 LEU N . - A 32 LEU CA . mod.= 1.332 id.= 1.488 dev= 0.156 sig.= 0.011 A 32 LEU CA . - A 32 LEU CB . mod.= 1.887 id.= 1.532 dev= -0.355 sig.= 0.010 A 32 LEU C . - A 32 LEU O . mod.= 1.018 id.= 1.247 dev= 0.229 sig.= 0.019 A 32 LEU C . - A 33 ASP N . mod.= 1.736 id.= 1.337 dev= -0.399 sig.= 0.011 A 33 ASP N . - A 33 ASP CA . mod.= 1.607 id.= 1.488 dev= -0.119 sig.= 0.010 A 33 ASP CA . - A 33 ASP CB . mod.= 1.666 id.= 1.531 dev= -0.135 sig.= 0.011 A 33 ASP CA . - A 33 ASP C . mod.= 1.302 id.= 1.533 dev= 0.231 sig.= 0.011 A 33 ASP CB . - A 33 ASP CG . mod.= 1.708 id.= 1.519 dev= -0.189 sig.= 0.012 A 33 ASP C . - A 33 ASP O . mod.= 1.459 id.= 1.247 dev= -0.212 sig.= 0.019 A 33 ASP C . - A 34 PHE N . mod.= 1.726 id.= 1.337 dev= -0.389 sig.= 0.011 A 34 PHE N . - A 34 PHE CA . mod.= 1.259 id.= 1.487 dev= 0.228 sig.= 0.010 A 34 PHE CA . - A 34 PHE C . mod.= 1.724 id.= 1.533 dev= -0.191 sig.= 0.011 A 34 PHE CG . - A 34 PHE CD2 . mod.= 1.245 id.= 1.385 dev= 0.140 sig.= 0.011 A 34 PHE CD1 . - A 34 PHE CE1 . mod.= 1.845 id.= 1.386 dev= -0.459 sig.= 0.010 A 34 PHE CZ . - A 34 PHE CE2 . mod.= 1.145 id.= 1.376 dev= 0.231 sig.= 0.012 A 34 PHE CD2 . - A 34 PHE CE2 . mod.= 1.686 id.= 1.386 dev= -0.300 sig.= 0.010 A 34 PHE C . - A 34 PHE O . mod.= 1.027 id.= 1.247 dev= 0.220 sig.= 0.019 A 36 THR CA . - A 36 THR CB . mod.= 1.385 id.= 1.534 dev= 0.149 sig.= 0.010 A 36 THR CA . - A 36 THR C . mod.= 1.777 id.= 1.533 dev= -0.244 sig.= 0.011 A 36 THR CB . - A 36 THR CG2 . mod.= 1.654 id.= 1.513 dev= -0.141 sig.= 0.010 A 37 GLY N . - A 37 GLY CA . mod.= 1.148 id.= 1.476 dev= 0.328 sig.= 0.010 A 37 GLY CA . - A 37 GLY C . mod.= 2.060 id.= 1.519 dev= -0.541 sig.= 0.012 A 37 GLY C . - A 37 GLY O . mod.= 0.693 id.= 1.247 dev= 0.554 sig.= 0.019 A 37 GLY C . - A 38 SER N . mod.= 1.633 id.= 1.337 dev= -0.296 sig.= 0.011 A 38 SER CA . - A 38 SER CB . mod.= 1.724 id.= 1.507 dev= -0.217 sig.= 0.018 A 38 SER CA . - A 38 SER C . mod.= 1.690 id.= 1.533 dev= -0.157 sig.= 0.011 A 38 SER C . - A 38 SER O . mod.= 1.546 id.= 1.247 dev= -0.299 sig.= 0.019 A 39 SER CA . - A 39 SER CB . mod.= 1.709 id.= 1.507 dev= -0.202 sig.= 0.018 A 39 SER CA . - A 39 SER C . mod.= 1.136 id.= 1.533 dev= 0.397 sig.= 0.011 A 39 SER CB . - A 39 SER OG . mod.= 1.583 id.= 1.420 dev= -0.163 sig.= 0.014 A 39 SER C . - A 40 ASP N . mod.= 1.551 id.= 1.337 dev= -0.214 sig.= 0.011 A 40 ASP CA . - A 40 ASP C . mod.= 1.805 id.= 1.533 dev= -0.272 sig.= 0.011 A 40 ASP CB . - A 40 ASP CG . mod.= 1.332 id.= 1.519 dev= 0.187 sig.= 0.012 A 40 ASP CG . - A 40 ASP OD1 . mod.= 1.005 id.= 1.247 dev= 0.242 sig.= 0.019 A 41 LEU N . - A 41 LEU CA . mod.= 1.322 id.= 1.488 dev= 0.166 sig.= 0.011 A 41 LEU CA . - A 41 LEU CB . mod.= 1.926 id.= 1.532 dev= -0.394 sig.= 0.010 A 41 LEU CA . - A 41 LEU C . mod.= 1.392 id.= 1.533 dev= 0.141 sig.= 0.011 A 41 LEU CB . - A 41 LEU CG . mod.= 1.315 id.= 1.528 dev= 0.213 sig.= 0.011 A 41 LEU CG . - A 41 LEU CD1 . mod.= 1.762 id.= 1.521 dev= -0.241 sig.= 0.015 A 42 TRP CA . - A 42 TRP CB . mod.= 1.125 id.= 1.534 dev= 0.409 sig.= 0.012 A 42 TRP CB . - A 42 TRP CG . mod.= 1.605 id.= 1.498 dev= -0.107 sig.= 0.010 A 42 TRP CG . - A 42 TRP CD1 . mod.= 1.212 id.= 1.365 dev= 0.153 sig.= 0.010 A 42 TRP CG . - A 42 TRP CD2 . mod.= 1.282 id.= 1.439 dev= 0.157 sig.= 0.010 A 42 TRP CD1 . - A 42 TRP NE1 . mod.= 1.570 id.= 1.369 dev= -0.201 sig.= 0.010 A 42 TRP NE1 . - A 42 TRP CE2 . mod.= 1.477 id.= 1.370 dev= -0.107 sig.= 0.010 A 42 TRP CE3 . - A 42 TRP CZ3 . mod.= 1.627 id.= 1.377 dev= -0.250 sig.= 0.010 A 42 TRP CZ3 . - A 42 TRP CH2 . mod.= 1.550 id.= 1.395 dev= -0.155 sig.= 0.011 A 42 TRP CH2 . - A 42 TRP CZ2 . mod.= 1.211 id.= 1.376 dev= 0.165 sig.= 0.010 A 42 TRP C . - A 42 TRP O . mod.= 1.039 id.= 1.247 dev= 0.208 sig.= 0.019 A 43 VAL CA . - A 43 VAL C . mod.= 1.795 id.= 1.533 dev= -0.262 sig.= 0.011 A 43 VAL C . - A 43 VAL O . mod.= 1.462 id.= 1.247 dev= -0.215 sig.= 0.019 A 43 VAL C . - A 44 PHE N . mod.= 0.904 id.= 1.337 dev= 0.433 sig.= 0.011 A 44 PHE N . - A 44 PHE CA . mod.= 1.880 id.= 1.487 dev= -0.393 sig.= 0.010 A 44 PHE CA . - A 44 PHE CB . mod.= 1.423 id.= 1.531 dev= 0.108 sig.= 0.010 A 44 PHE CA . - A 44 PHE C . mod.= 1.222 id.= 1.533 dev= 0.311 sig.= 0.011 A 44 PHE CB . - A 44 PHE CG . mod.= 1.322 id.= 1.508 dev= 0.186 sig.= 0.010 A 44 PHE CG . - A 44 PHE CD1 . mod.= 1.516 id.= 1.385 dev= -0.131 sig.= 0.011 A 44 PHE CD1 . - A 44 PHE CE1 . mod.= 1.528 id.= 1.386 dev= -0.142 sig.= 0.010 A 44 PHE CE1 . - A 44 PHE CZ . mod.= 1.536 id.= 1.376 dev= -0.160 sig.= 0.012 A 44 PHE C . - A 45 SER N . mod.= 1.137 id.= 1.337 dev= 0.200 sig.= 0.011 A 45 SER N . - A 45 SER CA . mod.= 1.297 id.= 1.487 dev= 0.190 sig.= 0.010 A 45 SER CA . - A 45 SER CB . mod.= 1.819 id.= 1.507 dev= -0.312 sig.= 0.018 A 45 SER CA . - A 45 SER C . mod.= 1.735 id.= 1.533 dev= -0.202 sig.= 0.011 A 45 SER CB . - A 45 SER OG . mod.= 1.580 id.= 1.420 dev= -0.160 sig.= 0.014 A 45 SER C . - A 45 SER O . mod.= 1.020 id.= 1.247 dev= 0.227 sig.= 0.019 A 45 SER C . - A 46 SER N . mod.= 1.512 id.= 1.337 dev= -0.175 sig.= 0.011 A 46 SER N . - A 46 SER CA . mod.= 1.264 id.= 1.487 dev= 0.223 sig.= 0.010 A 46 SER CA . - A 46 SER CB . mod.= 1.713 id.= 1.507 dev= -0.206 sig.= 0.018 A 46 SER CB . - A 46 SER OG . mod.= 1.620 id.= 1.420 dev= -0.200 sig.= 0.014 A 46 SER C . - A 47 GLU N . mod.= 1.452 id.= 1.337 dev= -0.115 sig.= 0.011 A 47 GLU CA . - A 47 GLU CB . mod.= 1.055 id.= 1.530 dev= 0.475 sig.= 0.011 A 47 GLU CA . - A 47 GLU C . mod.= 1.667 id.= 1.533 dev= -0.134 sig.= 0.011 A 47 GLU CB . - A 47 GLU CG . mod.= 2.017 id.= 1.518 dev= -0.499 sig.= 0.015 A 47 GLU CD . - A 47 GLU OE1 . mod.= 1.513 id.= 1.247 dev= -0.266 sig.= 0.019 A 47 GLU CD . - A 47 GLU OE2 . mod.= 1.647 id.= 1.247 dev= -0.400 sig.= 0.019 A 47 GLU C . - A 48 THR N . mod.= 1.134 id.= 1.337 dev= 0.203 sig.= 0.011 A 48 THR N . - A 48 THR CA . mod.= 1.229 id.= 1.488 dev= 0.259 sig.= 0.011 A 48 THR CA . - A 48 THR CB . mod.= 1.778 id.= 1.534 dev= -0.244 sig.= 0.010 A 48 THR CB . - A 48 THR OG1 . mod.= 1.534 id.= 1.428 dev= -0.106 sig.= 0.010 A 48 THR C . - A 49 THR N . mod.= 1.573 id.= 1.337 dev= -0.236 sig.= 0.011 A 49 THR CA . - A 49 THR C . mod.= 1.882 id.= 1.533 dev= -0.349 sig.= 0.011 A 49 THR CB . - A 49 THR OG1 . mod.= 1.312 id.= 1.428 dev= 0.116 sig.= 0.010 A 49 THR C . - A 50 ALA N . mod.= 1.140 id.= 1.337 dev= 0.197 sig.= 0.011 A 50 ALA CA . - A 50 ALA C . mod.= 1.337 id.= 1.533 dev= 0.196 sig.= 0.011 A 50 ALA C . - A 50 ALA O . mod.= 1.517 id.= 1.247 dev= -0.270 sig.= 0.019 A 51 SER C . - A 51 SER O . mod.= 1.038 id.= 1.247 dev= 0.209 sig.= 0.019 A 51 SER C . - A 52 GLU N . mod.= 1.211 id.= 1.337 dev= 0.126 sig.= 0.011 A 52 GLU CA . - A 52 GLU C . mod.= 1.352 id.= 1.533 dev= 0.181 sig.= 0.011 A 52 GLU CG . - A 52 GLU CD . mod.= 1.747 id.= 1.519 dev= -0.228 sig.= 0.012 A 52 GLU C . - A 52 GLU O . mod.= 1.498 id.= 1.247 dev= -0.251 sig.= 0.019 A 52 GLU C . - A 53 VAL N . mod.= 1.450 id.= 1.337 dev= -0.113 sig.= 0.011 A 53 VAL N . - A 53 VAL CA . mod.= 1.135 id.= 1.494 dev= 0.359 sig.= 0.010 A 53 VAL CA . - A 53 VAL CB . mod.= 1.767 id.= 1.541 dev= -0.226 sig.= 0.010 A 54 ASP N . - A 54 ASP CA B mod.= 1.620 id.= 1.488 dev= -0.132 sig.= 0.010 A 54 ASP CA A - A 54 ASP C . mod.= 1.677 id.= 1.533 dev= -0.144 sig.= 0.011 A 54 ASP CA B - A 54 ASP CB B mod.= 1.143 id.= 1.531 dev= 0.388 sig.= 0.011 A 54 ASP CA B - A 54 ASP C . mod.= 1.793 id.= 1.533 dev= -0.260 sig.= 0.011 A 54 ASP CB A - A 54 ASP CG A mod.= 1.370 id.= 1.519 dev= 0.149 sig.= 0.012 A 54 ASP CG A - A 54 ASP OD2 A mod.= 1.536 id.= 1.247 dev= -0.289 sig.= 0.019 A 54 ASP CG B - A 54 ASP OD1 B mod.= 1.679 id.= 1.247 dev= -0.432 sig.= 0.019 A 54 ASP CG B - A 54 ASP OD2 B mod.= 0.946 id.= 1.247 dev= 0.301 sig.= 0.019 A 54 ASP C . - A 55 GLY N . mod.= 1.196 id.= 1.337 dev= 0.141 sig.= 0.011 A 55 GLY N . - A 55 GLY CA . mod.= 1.655 id.= 1.476 dev= -0.179 sig.= 0.010 A 55 GLY CA . - A 55 GLY C . mod.= 1.371 id.= 1.519 dev= 0.148 sig.= 0.012 A 55 GLY C . - A 55 GLY O . mod.= 1.713 id.= 1.247 dev= -0.466 sig.= 0.019 A 55 GLY C . - A 56 GLN N . mod.= 1.450 id.= 1.337 dev= -0.113 sig.= 0.011 A 56 GLN CA . - A 56 GLN C . mod.= 1.725 id.= 1.533 dev= -0.192 sig.= 0.011 A 56 GLN CB . - A 56 GLN CG . mod.= 1.386 id.= 1.522 dev= 0.136 sig.= 0.013 A 56 GLN CG . - A 56 GLN CD . mod.= 1.323 id.= 1.509 dev= 0.186 sig.= 0.010 A 56 GLN C . - A 57 THR N . mod.= 1.021 id.= 1.337 dev= 0.316 sig.= 0.011 A 57 THR CA . - A 57 THR CB . mod.= 1.847 id.= 1.534 dev= -0.313 sig.= 0.010 A 57 THR CA . - A 57 THR C . mod.= 1.405 id.= 1.533 dev= 0.128 sig.= 0.011 A 57 THR CB . - A 57 THR CG2 . mod.= 1.172 id.= 1.513 dev= 0.341 sig.= 0.010 A 58 ILE N . - A 58 ILE CA . mod.= 1.701 id.= 1.494 dev= -0.207 sig.= 0.010 A 58 ILE CA . - A 58 ILE CB . mod.= 1.350 id.= 1.542 dev= 0.192 sig.= 0.011 A 58 ILE CB . - A 58 ILE CG1 . mod.= 1.967 id.= 1.531 dev= -0.436 sig.= 0.010 A 58 ILE C . - A 59 TYR N . mod.= 1.131 id.= 1.337 dev= 0.206 sig.= 0.011 A 59 TYR CA . - A 59 TYR CB . mod.= 1.386 id.= 1.531 dev= 0.145 sig.= 0.010 A 59 TYR CA . - A 59 TYR C . mod.= 1.242 id.= 1.533 dev= 0.291 sig.= 0.011 A 59 TYR CB . - A 59 TYR CG . mod.= 1.747 id.= 1.508 dev= -0.239 sig.= 0.010 A 59 TYR CG . - A 59 TYR CD1 . mod.= 1.202 id.= 1.385 dev= 0.183 sig.= 0.011 A 59 TYR CE1 . - A 59 TYR CZ . mod.= 1.608 id.= 1.383 dev= -0.225 sig.= 0.010 A 59 TYR CE2 . - A 59 TYR CD2 . mod.= 1.145 id.= 1.385 dev= 0.240 sig.= 0.010 A 59 TYR C . - A 60 THR N . mod.= 1.633 id.= 1.337 dev= -0.296 sig.= 0.011 A 60 THR N . - A 60 THR CA . mod.= 1.304 id.= 1.488 dev= 0.184 sig.= 0.011 A 60 THR CA . - A 60 THR C . mod.= 1.765 id.= 1.526 dev= -0.239 sig.= 0.010 A 60 THR CB . - A 60 THR OG1 . mod.= 1.601 id.= 1.428 dev= -0.173 sig.= 0.010 A 60 THR CB . - A 60 THR CG2 . mod.= 1.677 id.= 1.513 dev= -0.164 sig.= 0.010 A 61 PRO N . - A 61 PRO CD . mod.= 1.246 id.= 1.473 dev= 0.227 sig.= 0.011 A 61 PRO CA . - A 61 PRO CB . mod.= 1.311 id.= 1.534 dev= 0.223 sig.= 0.013 A 61 PRO CA . - A 61 PRO C . mod.= 1.732 id.= 1.536 dev= -0.196 sig.= 0.010 A 61 PRO CG . - A 61 PRO CD . mod.= 1.924 id.= 1.515 dev= -0.409 sig.= 0.012 A 61 PRO C . - A 61 PRO O . mod.= 1.505 id.= 1.218 dev= -0.287 sig.= 0.020 A 62 SER N . - A 62 SER CA . mod.= 1.343 id.= 1.487 dev= 0.144 sig.= 0.010 A 62 SER CA . - A 62 SER CB . mod.= 1.305 id.= 1.507 dev= 0.202 sig.= 0.018 A 62 SER CA . - A 62 SER C . mod.= 1.293 id.= 1.533 dev= 0.240 sig.= 0.011 A 62 SER C . - A 62 SER O . mod.= 1.486 id.= 1.247 dev= -0.239 sig.= 0.019 A 62 SER C . - A 63 LYS N . mod.= 1.148 id.= 1.337 dev= 0.189 sig.= 0.011 A 63 LYS CA . - A 63 LYS CB . mod.= 1.873 id.= 1.532 dev= -0.341 sig.= 0.010 A 63 LYS CA . - A 63 LYS C . mod.= 1.665 id.= 1.533 dev= -0.132 sig.= 0.011 A 63 LYS CB . - A 63 LYS CG . mod.= 1.284 id.= 1.523 dev= 0.239 sig.= 0.012 A 63 LYS CG . - A 63 LYS CD . mod.= 1.767 id.= 1.514 dev= -0.253 sig.= 0.020 A 63 LYS C . - A 63 LYS O . mod.= 1.584 id.= 1.247 dev= -0.337 sig.= 0.019 A 63 LYS C . - A 64 SER N . mod.= 1.119 id.= 1.337 dev= 0.218 sig.= 0.011 A 64 SER CA . - A 64 SER C . mod.= 1.676 id.= 1.533 dev= -0.143 sig.= 0.011 A 64 SER C . - A 64 SER O . mod.= 0.983 id.= 1.247 dev= 0.264 sig.= 0.019 A 65 THR CA . - A 65 THR CB . mod.= 1.634 id.= 1.534 dev= -0.100 sig.= 0.010 A 65 THR CA . - A 65 THR C . mod.= 1.834 id.= 1.533 dev= -0.301 sig.= 0.011 A 65 THR CB . - A 65 THR CG2 . mod.= 1.776 id.= 1.513 dev= -0.263 sig.= 0.010 A 65 THR C . - A 66 THR N . mod.= 1.523 id.= 1.337 dev= -0.186 sig.= 0.011 A 66 THR CA . - A 66 THR C . mod.= 1.753 id.= 1.533 dev= -0.220 sig.= 0.011 A 66 THR C . - A 67 ALA N . mod.= 1.530 id.= 1.337 dev= -0.193 sig.= 0.011 A 67 ALA N . - A 67 ALA CA . mod.= 1.344 id.= 1.482 dev= 0.138 sig.= 0.010 A 67 ALA CA . - A 67 ALA CB . mod.= 1.681 id.= 1.509 dev= -0.172 sig.= 0.014 A 67 ALA CA . - A 67 ALA C . mod.= 1.755 id.= 1.533 dev= -0.222 sig.= 0.011 A 67 ALA C . - A 68 LYS N . mod.= 1.594 id.= 1.337 dev= -0.257 sig.= 0.011 A 68 LYS N . - A 68 LYS CA . mod.= 1.335 id.= 1.488 dev= 0.153 sig.= 0.011 A 68 LYS CA . - A 68 LYS CB . mod.= 1.663 id.= 1.532 dev= -0.131 sig.= 0.010 A 68 LYS CB . - A 68 LYS CG . mod.= 1.790 id.= 1.523 dev= -0.267 sig.= 0.012 A 68 LYS C . - A 68 LYS O . mod.= 0.901 id.= 1.247 dev= 0.346 sig.= 0.019 A 68 LYS C . - A 69 LEU N . mod.= 1.576 id.= 1.337 dev= -0.239 sig.= 0.011 A 69 LEU N . - A 69 LEU CA . mod.= 1.635 id.= 1.488 dev= -0.147 sig.= 0.011 A 69 LEU CA . - A 69 LEU CB . mod.= 1.822 id.= 1.532 dev= -0.290 sig.= 0.010 A 69 LEU CB . - A 69 LEU CG . mod.= 1.784 id.= 1.528 dev= -0.256 sig.= 0.011 A 69 LEU CG . - A 69 LEU CD1 . mod.= 1.344 id.= 1.521 dev= 0.177 sig.= 0.015 A 70 LEU CA . - A 70 LEU CB . mod.= 1.416 id.= 1.532 dev= 0.116 sig.= 0.010 A 70 LEU CB . - A 70 LEU CG . mod.= 1.388 id.= 1.528 dev= 0.140 sig.= 0.011 A 70 LEU CG . - A 70 LEU CD1 . mod.= 1.725 id.= 1.521 dev= -0.204 sig.= 0.015 A 70 LEU CG . - A 70 LEU CD2 . mod.= 1.765 id.= 1.521 dev= -0.244 sig.= 0.015 A 70 LEU C . - A 71 SER N . mod.= 1.544 id.= 1.337 dev= -0.207 sig.= 0.011 A 71 SER N . - A 71 SER CA . mod.= 1.611 id.= 1.487 dev= -0.124 sig.= 0.010 A 71 SER CA . - A 71 SER C . mod.= 1.726 id.= 1.533 dev= -0.193 sig.= 0.011 A 71 SER CB . - A 71 SER OG . mod.= 1.204 id.= 1.420 dev= 0.216 sig.= 0.014 A 71 SER C . - A 72 GLY N . mod.= 1.478 id.= 1.337 dev= -0.141 sig.= 0.011 A 72 GLY N . - A 72 GLY CA . mod.= 1.703 id.= 1.476 dev= -0.227 sig.= 0.010 A 72 GLY CA . - A 72 GLY C . mod.= 1.863 id.= 1.519 dev= -0.344 sig.= 0.012 A 72 GLY C . - A 72 GLY O . mod.= 0.968 id.= 1.247 dev= 0.279 sig.= 0.019 A 73 ALA N . - A 73 ALA CA . mod.= 1.271 id.= 1.482 dev= 0.211 sig.= 0.010 A 73 ALA C . - A 74 THR N . mod.= 1.568 id.= 1.337 dev= -0.231 sig.= 0.011 A 74 THR N . - A 74 THR CA . mod.= 1.087 id.= 1.488 dev= 0.401 sig.= 0.011 A 74 THR CB . - A 74 THR OG1 . mod.= 1.735 id.= 1.428 dev= -0.307 sig.= 0.010 A 74 THR CB . - A 74 THR CG2 . mod.= 1.630 id.= 1.513 dev= -0.117 sig.= 0.010 A 74 THR C . - A 75 TRP N . mod.= 1.592 id.= 1.337 dev= -0.255 sig.= 0.011 A 75 TRP N . - A 75 TRP CA . mod.= 1.250 id.= 1.488 dev= 0.238 sig.= 0.010 A 75 TRP CA . - A 75 TRP C . mod.= 1.738 id.= 1.533 dev= -0.205 sig.= 0.011 A 75 TRP CB . - A 75 TRP CG . mod.= 1.755 id.= 1.498 dev= -0.257 sig.= 0.010 A 75 TRP CG . - A 75 TRP CD1 . mod.= 1.583 id.= 1.365 dev= -0.218 sig.= 0.010 A 75 TRP CG . - A 75 TRP CD2 . mod.= 1.235 id.= 1.439 dev= 0.204 sig.= 0.010 A 75 TRP NE1 . - A 75 TRP CE2 . mod.= 1.632 id.= 1.370 dev= -0.262 sig.= 0.010 A 75 TRP CE2 . - A 75 TRP CD2 . mod.= 1.291 id.= 1.411 dev= 0.120 sig.= 0.010 A 75 TRP CE2 . - A 75 TRP CZ2 . mod.= 1.511 id.= 1.394 dev= -0.117 sig.= 0.010 A 75 TRP CD2 . - A 75 TRP CE3 . mod.= 1.678 id.= 1.399 dev= -0.279 sig.= 0.010 A 75 TRP CE3 . - A 75 TRP CZ3 . mod.= 0.967 id.= 1.377 dev= 0.410 sig.= 0.010 A 75 TRP CZ3 . - A 75 TRP CH2 . mod.= 1.670 id.= 1.395 dev= -0.275 sig.= 0.011 A 75 TRP C . - A 75 TRP O . mod.= 0.872 id.= 1.247 dev= 0.375 sig.= 0.019 A 76 SER CA . - A 76 SER C . mod.= 1.377 id.= 1.533 dev= 0.156 sig.= 0.011 A 76 SER CB . - A 76 SER OG . mod.= 1.240 id.= 1.420 dev= 0.180 sig.= 0.014 A 76 SER C . - A 77 ILE N . mod.= 1.636 id.= 1.337 dev= -0.299 sig.= 0.011 A 77 ILE N . - A 77 ILE CA . mod.= 1.173 id.= 1.494 dev= 0.321 sig.= 0.010 A 77 ILE CA . - A 77 ILE CB . mod.= 1.738 id.= 1.542 dev= -0.196 sig.= 0.011 A 77 ILE CA . - A 77 ILE C . mod.= 1.836 id.= 1.533 dev= -0.303 sig.= 0.011 A 77 ILE CB . - A 77 ILE CG2 . mod.= 1.853 id.= 1.521 dev= -0.332 sig.= 0.014 A 77 ILE C . - A 78 SER N . mod.= 1.510 id.= 1.337 dev= -0.173 sig.= 0.011 A 78 SER N . - A 78 SER CA B mod.= 1.640 id.= 1.487 dev= -0.153 sig.= 0.010 A 78 SER CA A - A 78 SER CB A mod.= 1.276 id.= 1.507 dev= 0.231 sig.= 0.018 A 78 SER CA A - A 78 SER C . mod.= 1.753 id.= 1.533 dev= -0.220 sig.= 0.011 A 78 SER CA B - A 78 SER C . mod.= 1.775 id.= 1.533 dev= -0.242 sig.= 0.011 A 78 SER C . - A 79 TYR N . mod.= 1.506 id.= 1.337 dev= -0.169 sig.= 0.011 A 79 TYR CA . - A 79 TYR C . mod.= 1.806 id.= 1.533 dev= -0.273 sig.= 0.011 A 79 TYR CB . - A 79 TYR CG . mod.= 1.649 id.= 1.508 dev= -0.141 sig.= 0.010 A 79 TYR CG . - A 79 TYR CD1 . mod.= 1.818 id.= 1.385 dev= -0.433 sig.= 0.011 A 79 TYR CD1 . - A 79 TYR CE1 . mod.= 1.206 id.= 1.385 dev= 0.179 sig.= 0.010 A 79 TYR CE1 . - A 79 TYR CZ . mod.= 1.489 id.= 1.383 dev= -0.106 sig.= 0.010 A 79 TYR CZ . - A 79 TYR OH . mod.= 1.493 id.= 1.365 dev= -0.128 sig.= 0.012 A 79 TYR CE2 . - A 79 TYR CD2 . mod.= 1.047 id.= 1.385 dev= 0.338 sig.= 0.010 A 79 TYR C . - A 79 TYR O . mod.= 0.892 id.= 1.247 dev= 0.355 sig.= 0.019 A 80 GLY N . - A 80 GLY CA . mod.= 1.306 id.= 1.476 dev= 0.170 sig.= 0.010 A 80 GLY CA . - A 80 GLY C . mod.= 1.373 id.= 1.519 dev= 0.146 sig.= 0.012 A 80 GLY C . - A 81 ASP N . mod.= 1.598 id.= 1.337 dev= -0.261 sig.= 0.011 A 81 ASP CA . - A 81 ASP CB . mod.= 1.175 id.= 1.531 dev= 0.356 sig.= 0.011 A 81 ASP CA . - A 81 ASP C . mod.= 2.006 id.= 1.533 dev= -0.473 sig.= 0.011 A 81 ASP CB . - A 81 ASP CG . mod.= 1.803 id.= 1.519 dev= -0.284 sig.= 0.012 A 81 ASP CG . - A 81 ASP OD2 . mod.= 0.876 id.= 1.247 dev= 0.371 sig.= 0.019 A 81 ASP C . - A 81 ASP O . mod.= 0.899 id.= 1.247 dev= 0.348 sig.= 0.019 A 82 GLY N . - A 82 GLY CA . mod.= 1.068 id.= 1.476 dev= 0.408 sig.= 0.010 A 82 GLY C . - A 83 SER N . mod.= 1.144 id.= 1.337 dev= 0.193 sig.= 0.011 A 83 SER CB . - A 83 SER OG . mod.= 1.921 id.= 1.420 dev= -0.501 sig.= 0.014 A 83 SER C . - A 83 SER O . mod.= 1.536 id.= 1.247 dev= -0.289 sig.= 0.019 A 83 SER C . - A 84 SER N . mod.= 1.034 id.= 1.337 dev= 0.303 sig.= 0.011 A 84 SER N . - A 84 SER CA . mod.= 1.225 id.= 1.487 dev= 0.262 sig.= 0.010 A 84 SER CA . - A 84 SER C . mod.= 1.893 id.= 1.533 dev= -0.360 sig.= 0.011 A 84 SER C . - A 85 SER N . mod.= 0.966 id.= 1.337 dev= 0.371 sig.= 0.011 A 85 SER N . - A 85 SER CA . mod.= 1.727 id.= 1.487 dev= -0.240 sig.= 0.010 A 85 SER CA . - A 85 SER C . mod.= 1.762 id.= 1.533 dev= -0.229 sig.= 0.011 A 85 SER CB . - A 85 SER OG . mod.= 1.261 id.= 1.420 dev= 0.159 sig.= 0.014 A 86 SER N . - A 86 SER CA . mod.= 1.797 id.= 1.487 dev= -0.310 sig.= 0.010 A 86 SER CA . - A 86 SER C . mod.= 1.382 id.= 1.533 dev= 0.151 sig.= 0.011 A 86 SER C . - A 86 SER O . mod.= 1.504 id.= 1.247 dev= -0.257 sig.= 0.019 A 86 SER C . - A 87 GLY N . mod.= 1.204 id.= 1.337 dev= 0.133 sig.= 0.011 A 87 GLY CA . - A 87 GLY C . mod.= 1.212 id.= 1.519 dev= 0.307 sig.= 0.012 A 87 GLY C . - A 88 ASP N . mod.= 1.552 id.= 1.337 dev= -0.215 sig.= 0.011 A 88 ASP N . - A 88 ASP CA . mod.= 1.671 id.= 1.488 dev= -0.183 sig.= 0.010 A 88 ASP CA . - A 88 ASP C . mod.= 1.796 id.= 1.533 dev= -0.263 sig.= 0.011 A 88 ASP CG . - A 88 ASP OD2 . mod.= 1.509 id.= 1.247 dev= -0.262 sig.= 0.019 A 89 VAL N . - A 89 VAL CA . mod.= 1.714 id.= 1.494 dev= -0.220 sig.= 0.010 A 89 VAL CA . - A 89 VAL CB . mod.= 1.886 id.= 1.541 dev= -0.345 sig.= 0.010 A 89 VAL CB . - A 89 VAL CG1 . mod.= 1.242 id.= 1.521 dev= 0.279 sig.= 0.014 A 89 VAL C . - A 89 VAL O . mod.= 1.470 id.= 1.247 dev= -0.223 sig.= 0.019 A 89 VAL C . - A 90 TYR N . mod.= 1.586 id.= 1.337 dev= -0.249 sig.= 0.011 A 90 TYR N . - A 90 TYR CA . mod.= 1.206 id.= 1.487 dev= 0.281 sig.= 0.010 A 90 TYR CA . - A 90 TYR CB . mod.= 1.685 id.= 1.531 dev= -0.154 sig.= 0.010 A 90 TYR CA . - A 90 TYR C . mod.= 1.316 id.= 1.533 dev= 0.217 sig.= 0.011 A 90 TYR CG . - A 90 TYR CD1 . mod.= 1.535 id.= 1.385 dev= -0.150 sig.= 0.011 A 90 TYR CG . - A 90 TYR CD2 . mod.= 1.593 id.= 1.385 dev= -0.208 sig.= 0.011 A 90 TYR CE1 . - A 90 TYR CZ . mod.= 1.167 id.= 1.383 dev= 0.216 sig.= 0.010 A 90 TYR CZ . - A 90 TYR CE2 . mod.= 1.673 id.= 1.383 dev= -0.290 sig.= 0.010 A 90 TYR CE2 . - A 90 TYR CD2 . mod.= 0.965 id.= 1.385 dev= 0.420 sig.= 0.010 A 91 THR N . - A 91 THR CA . mod.= 1.663 id.= 1.488 dev= -0.175 sig.= 0.011 A 91 THR CA . - A 91 THR CB . mod.= 1.198 id.= 1.534 dev= 0.336 sig.= 0.010 A 91 THR CA . - A 91 THR C . mod.= 1.739 id.= 1.533 dev= -0.206 sig.= 0.011 A 91 THR CB . - A 91 THR CG2 . mod.= 1.623 id.= 1.513 dev= -0.110 sig.= 0.010 A 91 THR C . - A 92 ASP N . mod.= 1.034 id.= 1.337 dev= 0.303 sig.= 0.011 A 92 ASP N . - A 92 ASP CA . mod.= 1.610 id.= 1.488 dev= -0.122 sig.= 0.010 A 92 ASP CA . - A 92 ASP CB . mod.= 1.405 id.= 1.531 dev= 0.126 sig.= 0.011 A 92 ASP CA . - A 92 ASP C . mod.= 1.768 id.= 1.533 dev= -0.235 sig.= 0.011 A 92 ASP CB . - A 92 ASP CG . mod.= 1.654 id.= 1.519 dev= -0.135 sig.= 0.012 A 92 ASP CG . - A 92 ASP OD1 . mod.= 1.521 id.= 1.247 dev= -0.274 sig.= 0.019 A 92 ASP C . - A 92 ASP O . mod.= 1.455 id.= 1.247 dev= -0.208 sig.= 0.019 A 93 THR CA . - A 93 THR C . mod.= 2.017 id.= 1.533 dev= -0.484 sig.= 0.011 A 93 THR CB . - A 93 THR OG1 . mod.= 1.861 id.= 1.428 dev= -0.433 sig.= 0.010 A 93 THR C . - A 94 VAL N . mod.= 1.462 id.= 1.337 dev= -0.125 sig.= 0.011 A 94 VAL N . - A 94 VAL CA . mod.= 1.195 id.= 1.494 dev= 0.299 sig.= 0.010 A 94 VAL CB . - A 94 VAL CG2 . mod.= 1.078 id.= 1.521 dev= 0.443 sig.= 0.014 A 95 SER N . - A 95 SER CA . mod.= 1.190 id.= 1.487 dev= 0.297 sig.= 0.010 A 95 SER CA . - A 95 SER CB . mod.= 1.879 id.= 1.507 dev= -0.372 sig.= 0.018 A 95 SER CA . - A 95 SER C . mod.= 1.802 id.= 1.533 dev= -0.269 sig.= 0.011 A 95 SER C . - A 95 SER O . mod.= 1.470 id.= 1.247 dev= -0.223 sig.= 0.019 A 95 SER C . - A 96 VAL N . mod.= 1.046 id.= 1.337 dev= 0.291 sig.= 0.011 A 96 VAL N . - A 96 VAL CA . mod.= 1.815 id.= 1.494 dev= -0.321 sig.= 0.010 A 96 VAL CA . - A 96 VAL CB . mod.= 1.370 id.= 1.541 dev= 0.171 sig.= 0.010 A 96 VAL C . - A 96 VAL O . mod.= 1.498 id.= 1.247 dev= -0.251 sig.= 0.019 A 96 VAL C . - A 97 GLY N . mod.= 1.034 id.= 1.337 dev= 0.303 sig.= 0.011 A 97 GLY N . - A 97 GLY CA . mod.= 1.641 id.= 1.476 dev= -0.165 sig.= 0.010 A 97 GLY CA . - A 97 GLY C . mod.= 1.837 id.= 1.519 dev= -0.318 sig.= 0.012 A 97 GLY C . - A 97 GLY O . mod.= 1.440 id.= 1.247 dev= -0.193 sig.= 0.019 A 97 GLY C . - A 98 GLY N . mod.= 1.041 id.= 1.337 dev= 0.296 sig.= 0.011 A 98 GLY N . - A 98 GLY CA . mod.= 1.328 id.= 1.476 dev= 0.148 sig.= 0.010 A 98 GLY CA . - A 98 GLY C . mod.= 1.753 id.= 1.519 dev= -0.234 sig.= 0.012 A 99 LEU CA . - A 99 LEU CB . mod.= 1.152 id.= 1.532 dev= 0.380 sig.= 0.010 A 99 LEU CB . - A 99 LEU CG . mod.= 1.951 id.= 1.528 dev= -0.423 sig.= 0.011 A 99 LEU CG . - A 99 LEU CD2 . mod.= 1.852 id.= 1.521 dev= -0.331 sig.= 0.015 A 99 LEU C . - A 99 LEU O . mod.= 1.475 id.= 1.247 dev= -0.228 sig.= 0.019 A 99 LEU C . - A 100 THR N . mod.= 1.539 id.= 1.337 dev= -0.202 sig.= 0.011 A 100 THR N . - A 100 THR CA . mod.= 1.099 id.= 1.488 dev= 0.389 sig.= 0.011 A 100 THR CA . - A 100 THR CB . mod.= 1.379 id.= 1.534 dev= 0.155 sig.= 0.010 A 100 THR CB . - A 100 THR OG1 . mod.= 1.625 id.= 1.428 dev= -0.197 sig.= 0.010 A 100 THR CB . - A 100 THR CG2 . mod.= 1.687 id.= 1.513 dev= -0.174 sig.= 0.010 A 100 THR C . - A 101 VAL N . mod.= 1.657 id.= 1.337 dev= -0.320 sig.= 0.011 A 101 VAL CA . - A 101 VAL C . mod.= 1.328 id.= 1.533 dev= 0.205 sig.= 0.011 A 101 VAL CB . - A 101 VAL CG1 . mod.= 1.304 id.= 1.521 dev= 0.217 sig.= 0.014 A 101 VAL CB . - A 101 VAL CG2 . mod.= 1.884 id.= 1.521 dev= -0.363 sig.= 0.014 A 102 THR CA . - A 102 THR CB . mod.= 1.966 id.= 1.534 dev= -0.432 sig.= 0.010 A 102 THR CA . - A 102 THR C . mod.= 1.346 id.= 1.533 dev= 0.187 sig.= 0.011 A 102 THR C . - A 103 GLY N . mod.= 1.680 id.= 1.337 dev= -0.343 sig.= 0.011 A 103 GLY C . - A 104 GLN N . mod.= 1.701 id.= 1.337 dev= -0.364 sig.= 0.011 A 104 GLN N . - A 104 GLN CA . mod.= 1.331 id.= 1.488 dev= 0.157 sig.= 0.011 A 104 GLN CG . - A 104 GLN CD . mod.= 1.739 id.= 1.509 dev= -0.230 sig.= 0.010 A 104 GLN CD . - A 104 GLN OE1 . mod.= 1.466 id.= 1.229 dev= -0.237 sig.= 0.012 A 104 GLN CD . - A 104 GLN NE2 . mod.= 1.108 id.= 1.323 dev= 0.215 sig.= 0.011 A 104 GLN C . - A 105 ALA N . mod.= 1.462 id.= 1.337 dev= -0.125 sig.= 0.011 A 105 ALA N . - A 105 ALA CA . mod.= 1.071 id.= 1.482 dev= 0.411 sig.= 0.010 A 105 ALA CA . - A 105 ALA C . mod.= 1.739 id.= 1.533 dev= -0.206 sig.= 0.011 A 105 ALA C . - A 106 VAL N . mod.= 1.553 id.= 1.337 dev= -0.216 sig.= 0.011 A 106 VAL CA . - A 106 VAL CB . mod.= 1.663 id.= 1.541 dev= -0.122 sig.= 0.010 A 106 VAL CA . - A 106 VAL C . mod.= 1.225 id.= 1.533 dev= 0.308 sig.= 0.011 A 106 VAL CB . - A 106 VAL CG2 . mod.= 1.367 id.= 1.521 dev= 0.154 sig.= 0.014 A 106 VAL C . - A 106 VAL O . mod.= 1.012 id.= 1.247 dev= 0.235 sig.= 0.019 A 106 VAL C . - A 107 GLU N . mod.= 1.666 id.= 1.337 dev= -0.329 sig.= 0.011 A 107 GLU N . - A 107 GLU CA . mod.= 1.154 id.= 1.488 dev= 0.334 sig.= 0.011 A 107 GLU CA . - A 107 GLU CB . mod.= 1.754 id.= 1.530 dev= -0.224 sig.= 0.011 A 107 GLU CA . - A 107 GLU C . mod.= 1.292 id.= 1.533 dev= 0.241 sig.= 0.011 A 107 GLU CG . - A 107 GLU CD . mod.= 1.718 id.= 1.519 dev= -0.199 sig.= 0.012 A 107 GLU CD . - A 107 GLU OE2 . mod.= 1.471 id.= 1.247 dev= -0.224 sig.= 0.019 A 108 SER CA . - A 108 SER CB . mod.= 1.322 id.= 1.507 dev= 0.185 sig.= 0.018 A 108 SER CA . - A 108 SER C . mod.= 1.661 id.= 1.533 dev= -0.128 sig.= 0.011 A 108 SER CB . - A 108 SER OG . mod.= 1.841 id.= 1.420 dev= -0.421 sig.= 0.014 A 108 SER C . - A 109 ALA N . mod.= 1.507 id.= 1.337 dev= -0.170 sig.= 0.011 A 109 ALA N . - A 109 ALA CA . mod.= 1.648 id.= 1.482 dev= -0.166 sig.= 0.010 A 109 ALA CA . - A 109 ALA CB . mod.= 1.283 id.= 1.509 dev= 0.226 sig.= 0.014 A 110 LYS CA . - A 110 LYS CB . mod.= 1.656 id.= 1.532 dev= -0.124 sig.= 0.010 A 110 LYS CA . - A 110 LYS C . mod.= 2.119 id.= 1.533 dev= -0.586 sig.= 0.011 A 110 LYS CB . - A 110 LYS CG . mod.= 1.699 id.= 1.523 dev= -0.176 sig.= 0.012 A 110 LYS C . - A 111 LYS N . mod.= 1.129 id.= 1.337 dev= 0.208 sig.= 0.011 A 111 LYS CB . - A 111 LYS CG . mod.= 1.657 id.= 1.523 dev= -0.134 sig.= 0.012 A 111 LYS CD . - A 111 LYS CE . mod.= 1.713 id.= 1.514 dev= -0.199 sig.= 0.012 A 112 VAL N . - A 112 VAL CA . mod.= 1.245 id.= 1.494 dev= 0.249 sig.= 0.010 A 112 VAL CA . - A 112 VAL C . mod.= 1.386 id.= 1.533 dev= 0.147 sig.= 0.011 A 112 VAL CB . - A 112 VAL CG1 . mod.= 1.871 id.= 1.521 dev= -0.350 sig.= 0.014 A 112 VAL CB . - A 112 VAL CG2 . mod.= 1.722 id.= 1.521 dev= -0.201 sig.= 0.014 A 112 VAL C . - A 113 SER N . mod.= 1.192 id.= 1.337 dev= 0.145 sig.= 0.011 A 113 SER CB . - A 113 SER OG . mod.= 1.633 id.= 1.420 dev= -0.213 sig.= 0.014 A 113 SER C . - A 114 SER N . mod.= 1.567 id.= 1.337 dev= -0.230 sig.= 0.011 A 114 SER CA . - A 114 SER CB . mod.= 1.892 id.= 1.507 dev= -0.385 sig.= 0.018 A 114 SER CA . - A 114 SER C . mod.= 1.644 id.= 1.533 dev= -0.111 sig.= 0.011 A 114 SER C . - A 114 SER O . mod.= 0.966 id.= 1.247 dev= 0.281 sig.= 0.019 A 115 SER N . - A 115 SER CA A mod.= 1.321 id.= 1.487 dev= 0.166 sig.= 0.010 A 115 SER N . - A 115 SER CA B mod.= 1.256 id.= 1.487 dev= 0.231 sig.= 0.010 A 115 SER CA A - A 115 SER CB A mod.= 1.963 id.= 1.507 dev= -0.456 sig.= 0.018 A 115 SER CA B - A 115 SER CB B mod.= 1.860 id.= 1.507 dev= -0.353 sig.= 0.018 A 115 SER CB A - A 115 SER OG A mod.= 1.119 id.= 1.420 dev= 0.301 sig.= 0.014 A 115 SER C . - A 115 SER O . mod.= 0.924 id.= 1.247 dev= 0.323 sig.= 0.019 A 116 PHE CB . - A 116 PHE CG . mod.= 1.328 id.= 1.508 dev= 0.180 sig.= 0.010 A 116 PHE CG . - A 116 PHE CD1 . mod.= 1.779 id.= 1.385 dev= -0.394 sig.= 0.011 A 116 PHE CZ . - A 116 PHE CE2 . mod.= 1.149 id.= 1.376 dev= 0.227 sig.= 0.012 A 116 PHE CD2 . - A 116 PHE CE2 . mod.= 1.752 id.= 1.386 dev= -0.366 sig.= 0.010 A 116 PHE C . - A 117 THR N . mod.= 1.498 id.= 1.337 dev= -0.161 sig.= 0.011 A 117 THR N . - A 117 THR CA . mod.= 1.305 id.= 1.488 dev= 0.183 sig.= 0.011 A 117 THR CA . - A 117 THR CB . mod.= 1.769 id.= 1.534 dev= -0.235 sig.= 0.010 A 117 THR CA . - A 117 THR C . mod.= 1.895 id.= 1.533 dev= -0.362 sig.= 0.011 A 117 THR C . - A 117 THR O . mod.= 0.975 id.= 1.247 dev= 0.272 sig.= 0.019 A 118 GLU N . - A 118 GLU CA . mod.= 1.676 id.= 1.488 dev= -0.188 sig.= 0.011 A 118 GLU CA . - A 118 GLU CB . mod.= 1.737 id.= 1.530 dev= -0.207 sig.= 0.011 A 118 GLU CD . - A 118 GLU OE2 . mod.= 1.500 id.= 1.247 dev= -0.253 sig.= 0.019 A 118 GLU C . - A 119 ASP N . mod.= 1.673 id.= 1.337 dev= -0.336 sig.= 0.011 A 119 ASP CA A - A 119 ASP C . mod.= 1.268 id.= 1.533 dev= 0.265 sig.= 0.011 A 119 ASP CA B - A 119 ASP CB B mod.= 1.792 id.= 1.531 dev= -0.261 sig.= 0.011 A 119 ASP CA B - A 119 ASP C . mod.= 1.723 id.= 1.533 dev= -0.190 sig.= 0.011 A 119 ASP CB A - A 119 ASP CG A mod.= 1.687 id.= 1.519 dev= -0.168 sig.= 0.012 A 119 ASP CB B - A 119 ASP CG B mod.= 1.386 id.= 1.519 dev= 0.133 sig.= 0.012 A 119 ASP CG A - A 119 ASP OD2 A mod.= 1.036 id.= 1.247 dev= 0.211 sig.= 0.019 A 119 ASP CG B - A 119 ASP OD2 B mod.= 1.499 id.= 1.247 dev= -0.252 sig.= 0.019 A 120 SER N . - A 120 SER CA . mod.= 1.306 id.= 1.487 dev= 0.181 sig.= 0.010 A 120 SER CA . - A 120 SER CB . mod.= 1.798 id.= 1.507 dev= -0.291 sig.= 0.018 A 120 SER CB . - A 120 SER OG . mod.= 1.660 id.= 1.420 dev= -0.240 sig.= 0.014 A 120 SER C . - A 120 SER O . mod.= 1.026 id.= 1.247 dev= 0.221 sig.= 0.019 A 120 SER C . - A 121 THR N . mod.= 1.471 id.= 1.337 dev= -0.134 sig.= 0.011 A 121 THR CA . - A 121 THR C . mod.= 1.361 id.= 1.533 dev= 0.172 sig.= 0.011 A 121 THR CB . - A 121 THR CG2 . mod.= 1.799 id.= 1.513 dev= -0.286 sig.= 0.010 A 121 THR C . - A 122 ILE N . mod.= 1.522 id.= 1.337 dev= -0.185 sig.= 0.011 A 122 ILE CB . - A 122 ILE CG1 . mod.= 1.310 id.= 1.531 dev= 0.221 sig.= 0.010 A 123 ASP CB . - A 123 ASP CG . mod.= 1.238 id.= 1.519 dev= 0.281 sig.= 0.012 A 123 ASP C . - A 123 ASP O . mod.= 1.685 id.= 1.247 dev= -0.438 sig.= 0.019 A 123 ASP C . - A 124 GLY N . mod.= 1.137 id.= 1.337 dev= 0.200 sig.= 0.011 A 124 GLY N . - A 124 GLY CA . mod.= 1.608 id.= 1.476 dev= -0.132 sig.= 0.010 A 124 GLY CA . - A 124 GLY C . mod.= 1.729 id.= 1.519 dev= -0.210 sig.= 0.012 A 124 GLY C . - A 124 GLY O . mod.= 0.915 id.= 1.247 dev= 0.332 sig.= 0.019 A 125 LEU CG . - A 125 LEU CD1 . mod.= 1.309 id.= 1.521 dev= 0.212 sig.= 0.015 A 125 LEU CG . - A 125 LEU CD2 . mod.= 1.836 id.= 1.521 dev= -0.315 sig.= 0.015 A 125 LEU C . - A 125 LEU O . mod.= 1.030 id.= 1.247 dev= 0.217 sig.= 0.019 A 126 LEU CA . - A 126 LEU CB . mod.= 1.321 id.= 1.532 dev= 0.211 sig.= 0.010 A 126 LEU CB . - A 126 LEU CG . mod.= 1.720 id.= 1.528 dev= -0.192 sig.= 0.011 A 126 LEU C . - A 126 LEU O . mod.= 1.525 id.= 1.247 dev= -0.278 sig.= 0.019 A 126 LEU C . - A 127 GLY N . mod.= 1.451 id.= 1.337 dev= -0.114 sig.= 0.011 A 127 GLY N . - A 127 GLY CA . mod.= 1.254 id.= 1.476 dev= 0.222 sig.= 0.010 A 127 GLY CA . - A 127 GLY C . mod.= 1.810 id.= 1.519 dev= -0.291 sig.= 0.012 A 127 GLY C . - A 127 GLY O . mod.= 1.450 id.= 1.247 dev= -0.203 sig.= 0.019 A 127 GLY C . - A 128 LEU N . mod.= 1.187 id.= 1.337 dev= 0.150 sig.= 0.011 A 128 LEU N . - A 128 LEU CA . mod.= 1.637 id.= 1.488 dev= -0.149 sig.= 0.011 A 128 LEU CA . - A 128 LEU C . mod.= 1.257 id.= 1.533 dev= 0.276 sig.= 0.011 A 128 LEU CB . - A 128 LEU CG . mod.= 1.203 id.= 1.528 dev= 0.325 sig.= 0.011 A 128 LEU CG . - A 128 LEU CD1 . mod.= 1.697 id.= 1.521 dev= -0.176 sig.= 0.015 A 128 LEU C . - A 129 ALA N . mod.= 1.532 id.= 1.337 dev= -0.195 sig.= 0.011 A 129 ALA N . - A 129 ALA CA . mod.= 1.643 id.= 1.482 dev= -0.161 sig.= 0.010 A 129 ALA CA . - A 129 ALA C . mod.= 1.325 id.= 1.533 dev= 0.208 sig.= 0.011 A 129 ALA C . - A 129 ALA O . mod.= 1.737 id.= 1.247 dev= -0.490 sig.= 0.019 A 130 PHE N . - A 130 PHE CA . mod.= 2.011 id.= 1.487 dev= -0.524 sig.= 0.010 A 130 PHE CA . - A 130 PHE CB . mod.= 1.809 id.= 1.531 dev= -0.278 sig.= 0.010 A 130 PHE CB . - A 130 PHE CG . mod.= 1.341 id.= 1.508 dev= 0.167 sig.= 0.010 A 130 PHE CG . - A 130 PHE CD1 . mod.= 1.515 id.= 1.385 dev= -0.130 sig.= 0.011 A 130 PHE CD1 . - A 130 PHE CE1 . mod.= 1.270 id.= 1.386 dev= 0.116 sig.= 0.010 A 130 PHE CZ . - A 130 PHE CE2 . mod.= 1.552 id.= 1.376 dev= -0.176 sig.= 0.012 A 130 PHE C . - A 130 PHE O . mod.= 1.489 id.= 1.247 dev= -0.242 sig.= 0.019 A 130 PHE C . - A 131 SER N . mod.= 1.507 id.= 1.337 dev= -0.170 sig.= 0.011 A 131 SER N . - A 131 SER CA . mod.= 1.596 id.= 1.487 dev= -0.109 sig.= 0.010 A 131 SER CA . - A 131 SER C . mod.= 1.313 id.= 1.533 dev= 0.220 sig.= 0.011 A 131 SER CB . - A 131 SER OG . mod.= 1.723 id.= 1.420 dev= -0.303 sig.= 0.014 A 131 SER C . - A 131 SER O . mod.= 1.016 id.= 1.247 dev= 0.231 sig.= 0.019 A 132 THR N . - A 132 THR CA . mod.= 2.036 id.= 1.488 dev= -0.548 sig.= 0.011 A 132 THR CB . - A 132 THR OG1 . mod.= 1.674 id.= 1.428 dev= -0.246 sig.= 0.010 A 132 THR CB . - A 132 THR CG2 . mod.= 1.695 id.= 1.513 dev= -0.182 sig.= 0.010 A 132 THR C . - A 133 LEU N . mod.= 1.496 id.= 1.337 dev= -0.159 sig.= 0.011 A 133 LEU CB . - A 133 LEU CG . mod.= 1.395 id.= 1.528 dev= 0.133 sig.= 0.011 A 133 LEU CG . - A 133 LEU CD2 . mod.= 1.320 id.= 1.521 dev= 0.201 sig.= 0.015 A 133 LEU C . - A 134 ASN N . mod.= 1.469 id.= 1.337 dev= -0.132 sig.= 0.011 A 134 ASN CA . - A 134 ASN CB . mod.= 1.770 id.= 1.531 dev= -0.239 sig.= 0.011 A 134 ASN CB . - A 134 ASN CG . mod.= 1.807 id.= 1.514 dev= -0.293 sig.= 0.010 A 134 ASN CG . - A 134 ASN ND2 . mod.= 0.901 id.= 1.323 dev= 0.422 sig.= 0.011 A 134 ASN C . - A 134 ASN O . mod.= 1.036 id.= 1.247 dev= 0.211 sig.= 0.019 A 135 THR N . - A 135 THR CA . mod.= 1.744 id.= 1.488 dev= -0.256 sig.= 0.011 A 135 THR CA . - A 135 THR CB . mod.= 1.195 id.= 1.534 dev= 0.339 sig.= 0.010 A 135 THR CB . - A 135 THR OG1 . mod.= 1.533 id.= 1.428 dev= -0.105 sig.= 0.010 A 135 THR C . - A 136 VAL N . mod.= 1.209 id.= 1.337 dev= 0.128 sig.= 0.011 A 136 VAL N . - A 136 VAL CA . mod.= 1.840 id.= 1.494 dev= -0.346 sig.= 0.010 A 136 VAL CA . - A 136 VAL C . mod.= 1.093 id.= 1.533 dev= 0.440 sig.= 0.011 A 136 VAL C . - A 137 SER N . mod.= 1.474 id.= 1.337 dev= -0.137 sig.= 0.011 A 137 SER CA . - A 137 SER CB . mod.= 1.705 id.= 1.507 dev= -0.198 sig.= 0.018 A 137 SER CA . - A 137 SER C . mod.= 1.870 id.= 1.526 dev= -0.344 sig.= 0.010 A 137 SER C . - A 137 SER O . mod.= 0.821 id.= 1.229 dev= 0.408 sig.= 0.012 A 137 SER C . - A 138 PRO N . mod.= 1.479 id.= 1.352 dev= -0.127 sig.= 0.010 A 138 PRO N . - A 138 PRO CA . mod.= 1.042 id.= 1.464 dev= 0.422 sig.= 0.010 A 138 PRO N . - A 138 PRO CD . mod.= 1.980 id.= 1.473 dev= -0.507 sig.= 0.011 A 138 PRO CA . - A 138 PRO CB . mod.= 1.908 id.= 1.534 dev= -0.374 sig.= 0.013 A 138 PRO CA . - A 138 PRO C . mod.= 1.655 id.= 1.536 dev= -0.119 sig.= 0.010 A 138 PRO C . - A 138 PRO O . mod.= 0.830 id.= 1.218 dev= 0.388 sig.= 0.020 A 138 PRO C . - A 139 THR N . mod.= 1.525 id.= 1.337 dev= -0.188 sig.= 0.011 A 139 THR N . - A 139 THR CA . mod.= 1.624 id.= 1.488 dev= -0.136 sig.= 0.011 A 139 THR CA . - A 139 THR CB . mod.= 1.818 id.= 1.534 dev= -0.284 sig.= 0.010 A 139 THR CA . - A 139 THR C . mod.= 1.423 id.= 1.533 dev= 0.110 sig.= 0.011 A 139 THR CB . - A 139 THR OG1 . mod.= 1.310 id.= 1.428 dev= 0.118 sig.= 0.010 A 139 THR CB . - A 139 THR CG2 . mod.= 1.623 id.= 1.513 dev= -0.110 sig.= 0.010 A 139 THR C . - A 140 GLN N . mod.= 1.129 id.= 1.337 dev= 0.208 sig.= 0.011 A 140 GLN CA . - A 140 GLN CB . mod.= 1.690 id.= 1.530 dev= -0.160 sig.= 0.011 A 140 GLN CA . - A 140 GLN C . mod.= 1.233 id.= 1.533 dev= 0.300 sig.= 0.011 A 140 GLN CB . - A 140 GLN CG . mod.= 1.191 id.= 1.522 dev= 0.331 sig.= 0.013 A 140 GLN CG . - A 140 GLN CD . mod.= 2.089 id.= 1.509 dev= -0.580 sig.= 0.010 A 140 GLN CD . - A 140 GLN OE1 . mod.= 1.037 id.= 1.229 dev= 0.192 sig.= 0.012 A 140 GLN C . - A 141 GLN N . mod.= 1.180 id.= 1.337 dev= 0.157 sig.= 0.011 A 141 GLN N . - A 141 GLN CA . mod.= 1.733 id.= 1.488 dev= -0.245 sig.= 0.011 A 141 GLN CA . - A 141 GLN C . mod.= 1.368 id.= 1.533 dev= 0.165 sig.= 0.011 A 141 GLN CG . - A 141 GLN CD . mod.= 1.676 id.= 1.509 dev= -0.167 sig.= 0.010 A 141 GLN CD . - A 141 GLN NE2 . mod.= 1.551 id.= 1.323 dev= -0.228 sig.= 0.011 A 141 GLN C . - A 142 LYS N . mod.= 1.579 id.= 1.337 dev= -0.242 sig.= 0.011 A 142 LYS N . - A 142 LYS CA . mod.= 1.607 id.= 1.488 dev= -0.119 sig.= 0.011 A 142 LYS CA . - A 142 LYS CB . mod.= 1.759 id.= 1.532 dev= -0.227 sig.= 0.010 A 142 LYS CA . - A 142 LYS C . mod.= 1.237 id.= 1.533 dev= 0.296 sig.= 0.011 A 142 LYS CD . - A 142 LYS CE . mod.= 1.392 id.= 1.514 dev= 0.122 sig.= 0.012 A 143 THR N . - A 143 THR CA . mod.= 1.860 id.= 1.488 dev= -0.372 sig.= 0.011 A 143 THR CA . - A 143 THR C . mod.= 1.263 id.= 1.533 dev= 0.270 sig.= 0.011 A 143 THR CB . - A 143 THR CG2 . mod.= 1.702 id.= 1.513 dev= -0.189 sig.= 0.010 A 144 PHE CA . - A 144 PHE CB . mod.= 1.321 id.= 1.531 dev= 0.211 sig.= 0.010 A 144 PHE CB . - A 144 PHE CG . mod.= 1.852 id.= 1.508 dev= -0.344 sig.= 0.010 A 144 PHE CD1 . - A 144 PHE CE1 . mod.= 1.533 id.= 1.386 dev= -0.147 sig.= 0.010 A 144 PHE CZ . - A 144 PHE CE2 . mod.= 1.583 id.= 1.376 dev= -0.207 sig.= 0.012 A 144 PHE CD2 . - A 144 PHE CE2 . mod.= 1.525 id.= 1.386 dev= -0.139 sig.= 0.010 A 144 PHE C . - A 145 PHE N . mod.= 1.691 id.= 1.337 dev= -0.354 sig.= 0.011 A 145 PHE N . - A 145 PHE CA . mod.= 1.045 id.= 1.487 dev= 0.442 sig.= 0.010 A 145 PHE CA . - A 145 PHE CB . mod.= 1.996 id.= 1.531 dev= -0.465 sig.= 0.010 A 145 PHE CB . - A 145 PHE CG . mod.= 1.635 id.= 1.508 dev= -0.127 sig.= 0.010 A 145 PHE CG . - A 145 PHE CD1 . mod.= 1.623 id.= 1.385 dev= -0.238 sig.= 0.011 A 145 PHE CG . - A 145 PHE CD2 . mod.= 1.568 id.= 1.385 dev= -0.183 sig.= 0.011 A 145 PHE CZ . - A 145 PHE CE2 . mod.= 1.183 id.= 1.376 dev= 0.193 sig.= 0.012 A 145 PHE CD2 . - A 145 PHE CE2 . mod.= 1.014 id.= 1.386 dev= 0.372 sig.= 0.010 A 145 PHE C . - A 145 PHE O . mod.= 1.622 id.= 1.247 dev= -0.375 sig.= 0.019 A 146 ASP N . - A 146 ASP CA A mod.= 1.123 id.= 1.488 dev= 0.365 sig.= 0.010 A 146 ASP N . - A 146 ASP CA B mod.= 1.337 id.= 1.488 dev= 0.151 sig.= 0.010 A 146 ASP CA A - A 146 ASP C . mod.= 1.819 id.= 1.533 dev= -0.286 sig.= 0.011 A 146 ASP CA B - A 146 ASP C . mod.= 1.238 id.= 1.533 dev= 0.295 sig.= 0.011 A 146 ASP CB A - A 146 ASP CG A mod.= 1.368 id.= 1.519 dev= 0.151 sig.= 0.012 A 146 ASP CB B - A 146 ASP CG B mod.= 1.736 id.= 1.519 dev= -0.217 sig.= 0.012 A 146 ASP CG B - A 146 ASP OD2 B mod.= 1.525 id.= 1.247 dev= -0.278 sig.= 0.019 A 146 ASP C . - A 147 ASN N . mod.= 1.555 id.= 1.337 dev= -0.218 sig.= 0.011 A 147 ASN CA . - A 147 ASN CB . mod.= 1.662 id.= 1.531 dev= -0.131 sig.= 0.011 A 147 ASN CA . - A 147 ASN C . mod.= 1.061 id.= 1.533 dev= 0.472 sig.= 0.011 A 147 ASN CB . - A 147 ASN CG . mod.= 1.790 id.= 1.514 dev= -0.276 sig.= 0.010 A 147 ASN CG . - A 147 ASN OD1 . mod.= 1.422 id.= 1.229 dev= -0.193 sig.= 0.012 A 147 ASN CG . - A 147 ASN ND2 . mod.= 1.618 id.= 1.323 dev= -0.295 sig.= 0.011 A 147 ASN C . - A 147 ASN O . mod.= 1.505 id.= 1.247 dev= -0.258 sig.= 0.019 A 147 ASN C . - A 148 ALA N . mod.= 1.172 id.= 1.337 dev= 0.165 sig.= 0.011 A 149 LYS N . - A 149 LYS CA . mod.= 1.629 id.= 1.488 dev= -0.141 sig.= 0.011 A 149 LYS CA . - A 149 LYS CB . mod.= 1.425 id.= 1.532 dev= 0.107 sig.= 0.010 A 149 LYS CA . - A 149 LYS C . mod.= 1.354 id.= 1.533 dev= 0.179 sig.= 0.011 A 149 LYS CG . - A 149 LYS CD . mod.= 1.758 id.= 1.514 dev= -0.244 sig.= 0.020 A 149 LYS C . - A 149 LYS O . mod.= 1.588 id.= 1.247 dev= -0.341 sig.= 0.019 A 149 LYS C . - A 150 ALA N . mod.= 1.226 id.= 1.337 dev= 0.111 sig.= 0.011 A 150 ALA CA . - A 150 ALA C . mod.= 1.376 id.= 1.533 dev= 0.157 sig.= 0.011 A 150 ALA C . - A 151 SER N . mod.= 1.660 id.= 1.337 dev= -0.323 sig.= 0.011 A 151 SER N . - A 151 SER CA A mod.= 1.626 id.= 1.487 dev= -0.139 sig.= 0.010 A 151 SER N . - A 151 SER CA B mod.= 1.616 id.= 1.487 dev= -0.129 sig.= 0.010 A 151 SER CA B - A 151 SER C . mod.= 1.673 id.= 1.533 dev= -0.140 sig.= 0.011 A 151 SER CB A - A 151 SER OG A mod.= 1.260 id.= 1.420 dev= 0.160 sig.= 0.014 A 151 SER CB B - A 151 SER OG B mod.= 1.699 id.= 1.420 dev= -0.279 sig.= 0.014 A 151 SER C . - A 151 SER O . mod.= 1.019 id.= 1.247 dev= 0.228 sig.= 0.019 A 152 LEU N . - A 152 LEU CA . mod.= 1.784 id.= 1.488 dev= -0.296 sig.= 0.011 A 152 LEU CA . - A 152 LEU CB . mod.= 1.763 id.= 1.532 dev= -0.231 sig.= 0.010 A 152 LEU CG . - A 152 LEU CD2 . mod.= 1.781 id.= 1.521 dev= -0.260 sig.= 0.015 A 153 ASP N . - A 153 ASP CA . mod.= 1.769 id.= 1.488 dev= -0.281 sig.= 0.010 A 153 ASP CA . - A 153 ASP C . mod.= 1.335 id.= 1.533 dev= 0.198 sig.= 0.011 A 153 ASP CB . - A 153 ASP CG . mod.= 1.399 id.= 1.519 dev= 0.120 sig.= 0.012 A 153 ASP C . - A 154 SER N . mod.= 1.674 id.= 1.337 dev= -0.337 sig.= 0.011 A 154 SER CA . - A 154 SER CB . mod.= 1.735 id.= 1.507 dev= -0.228 sig.= 0.018 A 154 SER CA . - A 154 SER C . mod.= 1.145 id.= 1.526 dev= 0.381 sig.= 0.010 A 154 SER CB . - A 154 SER OG . mod.= 1.715 id.= 1.420 dev= -0.295 sig.= 0.014 A 154 SER C . - A 155 PRO N . mod.= 1.663 id.= 1.352 dev= -0.311 sig.= 0.010 A 155 PRO N . - A 155 PRO CD . mod.= 1.230 id.= 1.473 dev= 0.243 sig.= 0.011 A 155 PRO C . - A 156 VAL N . mod.= 1.564 id.= 1.337 dev= -0.227 sig.= 0.011 A 156 VAL N . - A 156 VAL CA . mod.= 1.266 id.= 1.494 dev= 0.228 sig.= 0.010 A 156 VAL CA . - A 156 VAL CB . mod.= 1.861 id.= 1.541 dev= -0.320 sig.= 0.010 A 157 PHE N . - A 157 PHE CA . mod.= 1.739 id.= 1.487 dev= -0.252 sig.= 0.010 A 157 PHE CA . - A 157 PHE C . mod.= 1.212 id.= 1.533 dev= 0.321 sig.= 0.011 A 157 PHE CB . - A 157 PHE CG . mod.= 1.755 id.= 1.508 dev= -0.247 sig.= 0.010 A 157 PHE CG . - A 157 PHE CD1 . mod.= 1.170 id.= 1.385 dev= 0.215 sig.= 0.011 A 157 PHE CG . - A 157 PHE CD2 . mod.= 1.525 id.= 1.385 dev= -0.140 sig.= 0.011 A 157 PHE CD1 . - A 157 PHE CE1 . mod.= 1.510 id.= 1.386 dev= -0.124 sig.= 0.010 A 157 PHE CE1 . - A 157 PHE CZ . mod.= 1.085 id.= 1.376 dev= 0.291 sig.= 0.012 A 157 PHE CZ . - A 157 PHE CE2 . mod.= 1.637 id.= 1.376 dev= -0.261 sig.= 0.012 A 157 PHE C . - A 157 PHE O . mod.= 1.446 id.= 1.247 dev= -0.199 sig.= 0.019 A 157 PHE C . - A 158 THR N . mod.= 1.597 id.= 1.337 dev= -0.260 sig.= 0.011 A 158 THR CA . - A 158 THR CB . mod.= 1.114 id.= 1.534 dev= 0.420 sig.= 0.010 A 158 THR CB . - A 158 THR OG1 . mod.= 1.654 id.= 1.428 dev= -0.226 sig.= 0.010 A 158 THR CB . - A 158 THR CG2 . mod.= 1.949 id.= 1.513 dev= -0.436 sig.= 0.010 A 158 THR C . - A 158 THR O . mod.= 1.444 id.= 1.247 dev= -0.197 sig.= 0.019 A 158 THR C . - A 159 ALA N . mod.= 1.006 id.= 1.337 dev= 0.331 sig.= 0.011 A 159 ALA N . - A 159 ALA CA . mod.= 1.595 id.= 1.482 dev= -0.113 sig.= 0.010 A 159 ALA CA . - A 159 ALA C . mod.= 1.363 id.= 1.533 dev= 0.170 sig.= 0.011 A 159 ALA C . - A 160 ASP N . mod.= 1.056 id.= 1.337 dev= 0.281 sig.= 0.011 A 160 ASP CA . - A 160 ASP C . mod.= 1.348 id.= 1.533 dev= 0.185 sig.= 0.011 A 160 ASP CG . - A 160 ASP OD1 . mod.= 1.454 id.= 1.247 dev= -0.207 sig.= 0.019 A 160 ASP C . - A 160 ASP O . mod.= 0.881 id.= 1.247 dev= 0.366 sig.= 0.019 A 161 LEU N . - A 161 LEU CA . mod.= 1.673 id.= 1.488 dev= -0.185 sig.= 0.011 A 161 LEU CA . - A 161 LEU C . mod.= 1.421 id.= 1.533 dev= 0.112 sig.= 0.011 A 161 LEU CB . - A 161 LEU CG . mod.= 1.662 id.= 1.528 dev= -0.134 sig.= 0.011 A 161 LEU CG . - A 161 LEU CD2 . mod.= 1.691 id.= 1.521 dev= -0.170 sig.= 0.015 A 161 LEU C . - A 161 LEU O . mod.= 0.941 id.= 1.247 dev= 0.306 sig.= 0.019 A 161 LEU C . - A 162 GLY N . mod.= 1.525 id.= 1.337 dev= -0.188 sig.= 0.011 A 162 GLY N . - A 162 GLY CA . mod.= 1.781 id.= 1.476 dev= -0.305 sig.= 0.010 A 163 TYR N . - A 163 TYR CA . mod.= 1.262 id.= 1.487 dev= 0.225 sig.= 0.010 A 163 TYR CA . - A 163 TYR CB . mod.= 1.343 id.= 1.531 dev= 0.188 sig.= 0.010 A 163 TYR CB . - A 163 TYR CG . mod.= 1.763 id.= 1.508 dev= -0.255 sig.= 0.010 A 163 TYR CG . - A 163 TYR CD2 . mod.= 1.524 id.= 1.385 dev= -0.139 sig.= 0.011 A 163 TYR CE1 . - A 163 TYR CZ . mod.= 1.251 id.= 1.383 dev= 0.132 sig.= 0.010 A 163 TYR CE2 . - A 163 TYR CD2 . mod.= 1.208 id.= 1.385 dev= 0.177 sig.= 0.010 A 163 TYR C . - A 163 TYR O . mod.= 0.847 id.= 1.247 dev= 0.400 sig.= 0.019 A 164 HIS N . - A 164 HIS CA . mod.= 1.211 id.= 1.488 dev= 0.277 sig.= 0.010 A 164 HIS CA . - A 164 HIS CB . mod.= 1.801 id.= 1.535 dev= -0.266 sig.= 0.013 A 164 HIS CG . - A 164 HIS ND1 . mod.= 1.075 id.= 1.380 dev= 0.305 sig.= 0.016 A 164 HIS CG . - A 164 HIS CD2 . mod.= 1.788 id.= 1.350 dev= -0.438 sig.= 0.011 A 164 HIS ND1 . - A 164 HIS CE1 . mod.= 1.696 id.= 1.318 dev= -0.378 sig.= 0.013 A 164 HIS NE2 . - A 164 HIS CD2 . mod.= 1.052 id.= 1.369 dev= 0.317 sig.= 0.014 A 164 HIS C . - A 164 HIS O . mod.= 1.529 id.= 1.247 dev= -0.282 sig.= 0.019 A 164 HIS C . - A 165 ALA N . mod.= 1.225 id.= 1.337 dev= 0.112 sig.= 0.011 A 165 ALA CA . - A 165 ALA CB . mod.= 1.807 id.= 1.509 dev= -0.298 sig.= 0.014 A 165 ALA CA . - A 165 ALA C . mod.= 1.075 id.= 1.526 dev= 0.451 sig.= 0.010 A 165 ALA C . - A 165 ALA O . mod.= 1.652 id.= 1.229 dev= -0.423 sig.= 0.012 A 166 PRO N . - A 166 PRO CA . mod.= 1.294 id.= 1.464 dev= 0.170 sig.= 0.010 A 166 PRO N . - A 166 PRO CD . mod.= 1.632 id.= 1.473 dev= -0.159 sig.= 0.011 A 166 PRO CA . - A 166 PRO C . mod.= 1.843 id.= 1.536 dev= -0.307 sig.= 0.010 A 166 PRO CG . - A 166 PRO CD . mod.= 1.835 id.= 1.515 dev= -0.320 sig.= 0.012 A 166 PRO C . - A 166 PRO O . mod.= 0.917 id.= 1.218 dev= 0.301 sig.= 0.020 A 167 GLY N . - A 167 GLY CA . mod.= 1.279 id.= 1.476 dev= 0.197 sig.= 0.010 A 167 GLY CA . - A 167 GLY C . mod.= 1.728 id.= 1.519 dev= -0.209 sig.= 0.012 A 168 THR N . - A 168 THR CA . mod.= 1.605 id.= 1.488 dev= -0.117 sig.= 0.011 A 168 THR CB . - A 168 THR OG1 . mod.= 1.710 id.= 1.428 dev= -0.282 sig.= 0.010 A 169 TYR N . - A 169 TYR CA . mod.= 1.198 id.= 1.487 dev= 0.289 sig.= 0.010 A 169 TYR CA . - A 169 TYR C . mod.= 1.873 id.= 1.533 dev= -0.340 sig.= 0.011 A 169 TYR CG . - A 169 TYR CD1 . mod.= 1.620 id.= 1.385 dev= -0.235 sig.= 0.011 A 169 TYR CD1 . - A 169 TYR CE1 . mod.= 1.531 id.= 1.385 dev= -0.146 sig.= 0.010 A 169 TYR CZ . - A 169 TYR CE2 . mod.= 1.616 id.= 1.383 dev= -0.233 sig.= 0.010 A 169 TYR C . - A 169 TYR O . mod.= 1.592 id.= 1.247 dev= -0.345 sig.= 0.019 A 169 TYR C . - A 170 ASN N . mod.= 0.956 id.= 1.337 dev= 0.381 sig.= 0.011 A 170 ASN N . - A 170 ASN CA . mod.= 1.661 id.= 1.488 dev= -0.173 sig.= 0.010 A 170 ASN CA . - A 170 ASN CB . mod.= 1.879 id.= 1.531 dev= -0.348 sig.= 0.011 A 170 ASN CB . - A 170 ASN CG . mod.= 1.225 id.= 1.514 dev= 0.289 sig.= 0.010 A 170 ASN CG . - A 170 ASN ND2 . mod.= 1.621 id.= 1.323 dev= -0.298 sig.= 0.011 A 171 PHE N . - A 171 PHE CA . mod.= 1.347 id.= 1.487 dev= 0.140 sig.= 0.010 A 171 PHE CA . - A 171 PHE CB . mod.= 2.004 id.= 1.531 dev= -0.473 sig.= 0.010 A 171 PHE CA . - A 171 PHE C . mod.= 1.073 id.= 1.533 dev= 0.460 sig.= 0.011 A 171 PHE CG . - A 171 PHE CD2 . mod.= 1.112 id.= 1.385 dev= 0.273 sig.= 0.011 A 171 PHE CD1 . - A 171 PHE CE1 . mod.= 1.532 id.= 1.386 dev= -0.146 sig.= 0.010 A 171 PHE CE1 . - A 171 PHE CZ . mod.= 1.089 id.= 1.376 dev= 0.287 sig.= 0.012 A 171 PHE C . - A 172 GLY N . mod.= 1.576 id.= 1.337 dev= -0.239 sig.= 0.011 A 172 GLY N . - A 172 GLY CA . mod.= 1.307 id.= 1.476 dev= 0.169 sig.= 0.010 A 172 GLY C . - A 172 GLY O . mod.= 1.464 id.= 1.247 dev= -0.217 sig.= 0.019 A 172 GLY C . - A 173 PHE N . mod.= 1.450 id.= 1.337 dev= -0.113 sig.= 0.011 A 173 PHE CA . - A 173 PHE CB . mod.= 1.796 id.= 1.531 dev= -0.265 sig.= 0.010 A 173 PHE CB . - A 173 PHE CG . mod.= 1.227 id.= 1.508 dev= 0.281 sig.= 0.010 A 173 PHE CG . - A 173 PHE CD2 . mod.= 1.592 id.= 1.385 dev= -0.207 sig.= 0.011 A 173 PHE CD1 . - A 173 PHE CE1 . mod.= 1.604 id.= 1.386 dev= -0.218 sig.= 0.010 A 174 ILE N . - A 174 ILE CA . mod.= 1.239 id.= 1.494 dev= 0.255 sig.= 0.010 A 174 ILE CA . - A 174 ILE CB . mod.= 1.859 id.= 1.542 dev= -0.317 sig.= 0.011 A 174 ILE CA . - A 174 ILE C . mod.= 1.197 id.= 1.533 dev= 0.336 sig.= 0.011 A 174 ILE CB . - A 174 ILE CG2 . mod.= 1.251 id.= 1.521 dev= 0.270 sig.= 0.014 A 175 ASP N . - A 175 ASP CA . mod.= 1.733 id.= 1.488 dev= -0.245 sig.= 0.010 A 175 ASP CA . - A 175 ASP CB . mod.= 1.659 id.= 1.531 dev= -0.128 sig.= 0.011 A 175 ASP CG . - A 175 ASP OD1 . mod.= 1.484 id.= 1.247 dev= -0.237 sig.= 0.019 A 176 THR N . - A 176 THR CA . mod.= 1.666 id.= 1.488 dev= -0.178 sig.= 0.011 A 176 THR CA . - A 176 THR C . mod.= 1.054 id.= 1.533 dev= 0.479 sig.= 0.011 A 176 THR CB . - A 176 THR OG1 . mod.= 1.268 id.= 1.428 dev= 0.160 sig.= 0.010 A 176 THR C . - A 176 THR O . mod.= 1.526 id.= 1.247 dev= -0.279 sig.= 0.019 A 177 THR N . - A 177 THR CA . mod.= 1.310 id.= 1.488 dev= 0.178 sig.= 0.011 A 177 THR CA . - A 177 THR CB . mod.= 1.790 id.= 1.534 dev= -0.256 sig.= 0.010 A 177 THR CA . - A 177 THR C . mod.= 1.830 id.= 1.533 dev= -0.297 sig.= 0.011 A 177 THR CB . - A 177 THR CG2 . mod.= 1.259 id.= 1.513 dev= 0.254 sig.= 0.010 A 177 THR C . - A 178 ALA N . mod.= 1.464 id.= 1.337 dev= -0.127 sig.= 0.011 A 178 ALA N . - A 178 ALA CA . mod.= 1.007 id.= 1.482 dev= 0.475 sig.= 0.010 A 178 ALA CA . - A 178 ALA CB . mod.= 1.751 id.= 1.509 dev= -0.242 sig.= 0.014 A 178 ALA CA . - A 178 ALA C . mod.= 1.670 id.= 1.533 dev= -0.137 sig.= 0.011 A 178 ALA C . - A 178 ALA O . mod.= 0.932 id.= 1.247 dev= 0.315 sig.= 0.019 A 179 TYR N . - A 179 TYR CA . mod.= 1.873 id.= 1.487 dev= -0.386 sig.= 0.010 A 179 TYR CB . - A 179 TYR CG . mod.= 1.861 id.= 1.508 dev= -0.353 sig.= 0.010 A 179 TYR CG . - A 179 TYR CD1 . mod.= 1.267 id.= 1.385 dev= 0.118 sig.= 0.011 A 179 TYR CG . - A 179 TYR CD2 . mod.= 1.537 id.= 1.385 dev= -0.152 sig.= 0.011 A 179 TYR CD1 . - A 179 TYR CE1 . mod.= 1.535 id.= 1.385 dev= -0.150 sig.= 0.010 A 179 TYR CZ . - A 179 TYR OH . mod.= 0.970 id.= 1.365 dev= 0.395 sig.= 0.012 A 179 TYR CE2 . - A 179 TYR CD2 . mod.= 1.626 id.= 1.385 dev= -0.241 sig.= 0.010 A 180 THR CA . - A 180 THR CB . mod.= 1.695 id.= 1.534 dev= -0.161 sig.= 0.010 A 180 THR CA . - A 180 THR C . mod.= 1.821 id.= 1.533 dev= -0.288 sig.= 0.011 A 180 THR C . - A 181 GLY N . mod.= 1.214 id.= 1.337 dev= 0.123 sig.= 0.011 A 181 GLY CA . - A 181 GLY C . mod.= 1.647 id.= 1.519 dev= -0.128 sig.= 0.012 A 181 GLY C . - A 182 SER N B mod.= 1.132 id.= 1.337 dev= 0.205 sig.= 0.011 A 182 SER N A - A 182 SER CA A mod.= 1.772 id.= 1.487 dev= -0.285 sig.= 0.010 A 182 SER N B - A 182 SER CA B mod.= 1.310 id.= 1.487 dev= 0.177 sig.= 0.010 A 182 SER CA A - A 182 SER CB A mod.= 1.023 id.= 1.507 dev= 0.484 sig.= 0.018 A 182 SER CA A - A 182 SER C A mod.= 1.732 id.= 1.533 dev= -0.199 sig.= 0.011 A 182 SER CA B - A 182 SER C B mod.= 1.762 id.= 1.533 dev= -0.229 sig.= 0.011 A 182 SER C A - A 183 ILE N . mod.= 1.539 id.= 1.337 dev= -0.202 sig.= 0.011 A 182 SER C B - A 182 SER O B mod.= 0.908 id.= 1.247 dev= 0.339 sig.= 0.019 A 183 ILE N . - A 183 ILE CA . mod.= 1.797 id.= 1.494 dev= -0.303 sig.= 0.010 A 183 ILE CA . - A 183 ILE C . mod.= 1.765 id.= 1.533 dev= -0.232 sig.= 0.011 A 183 ILE CB . - A 183 ILE CG1 . mod.= 1.726 id.= 1.531 dev= -0.195 sig.= 0.010 A 183 ILE CG1 . - A 183 ILE CD1 . mod.= 1.305 id.= 1.511 dev= 0.206 sig.= 0.020 A 183 ILE C . - A 183 ILE O . mod.= 0.945 id.= 1.247 dev= 0.302 sig.= 0.019 A 184 THR N . - A 184 THR CA . mod.= 1.627 id.= 1.488 dev= -0.139 sig.= 0.011 A 184 THR CA . - A 184 THR CB . mod.= 1.373 id.= 1.534 dev= 0.161 sig.= 0.010 A 184 THR CA . - A 184 THR C . mod.= 1.374 id.= 1.533 dev= 0.159 sig.= 0.011 A 184 THR CB . - A 184 THR OG1 . mod.= 1.317 id.= 1.428 dev= 0.111 sig.= 0.010 A 185 TYR CA . - A 185 TYR C . mod.= 1.779 id.= 1.533 dev= -0.246 sig.= 0.011 A 185 TYR CB . - A 185 TYR CG . mod.= 1.347 id.= 1.508 dev= 0.161 sig.= 0.010 A 185 TYR CZ . - A 185 TYR CE2 . mod.= 1.509 id.= 1.383 dev= -0.126 sig.= 0.010 A 185 TYR CE2 . - A 185 TYR CD2 . mod.= 1.830 id.= 1.385 dev= -0.445 sig.= 0.010 A 185 TYR C . - A 185 TYR O . mod.= 1.023 id.= 1.247 dev= 0.224 sig.= 0.019 A 185 TYR C . - A 186 THR N . mod.= 1.504 id.= 1.337 dev= -0.167 sig.= 0.011 A 186 THR CA . - A 186 THR C . mod.= 1.801 id.= 1.533 dev= -0.268 sig.= 0.011 A 186 THR CB . - A 186 THR OG1 . mod.= 1.666 id.= 1.428 dev= -0.238 sig.= 0.010 A 186 THR CB . - A 186 THR CG2 . mod.= 1.358 id.= 1.513 dev= 0.155 sig.= 0.010 A 186 THR C . - A 187 ALA N . mod.= 1.463 id.= 1.337 dev= -0.126 sig.= 0.011 A 187 ALA CA . - A 187 ALA CB . mod.= 1.697 id.= 1.509 dev= -0.188 sig.= 0.014 A 187 ALA CA . - A 187 ALA C . mod.= 1.301 id.= 1.533 dev= 0.232 sig.= 0.011 A 187 ALA C . - A 187 ALA O . mod.= 1.648 id.= 1.247 dev= -0.401 sig.= 0.019 A 188 VAL CA . - A 188 VAL CB . mod.= 1.754 id.= 1.541 dev= -0.213 sig.= 0.010 A 188 VAL CA . - A 188 VAL C . mod.= 1.987 id.= 1.533 dev= -0.454 sig.= 0.011 A 188 VAL CB . - A 188 VAL CG1 . mod.= 1.722 id.= 1.521 dev= -0.201 sig.= 0.014 A 188 VAL C . - A 188 VAL O . mod.= 1.546 id.= 1.247 dev= -0.299 sig.= 0.019 A 188 VAL C . - A 189 SER N . mod.= 1.053 id.= 1.337 dev= 0.284 sig.= 0.011 A 189 SER N . - A 189 SER CA . mod.= 1.310 id.= 1.487 dev= 0.177 sig.= 0.010 A 189 SER CB . - A 189 SER OG . mod.= 1.057 id.= 1.420 dev= 0.363 sig.= 0.014 A 189 SER C . - A 190 THR N . mod.= 1.652 id.= 1.337 dev= -0.315 sig.= 0.011 A 190 THR N . - A 190 THR CA . mod.= 1.355 id.= 1.488 dev= 0.133 sig.= 0.011 A 190 THR CA . - A 190 THR CB . mod.= 1.645 id.= 1.534 dev= -0.111 sig.= 0.010 A 191 LYS CA . - A 191 LYS CB . mod.= 1.760 id.= 1.532 dev= -0.228 sig.= 0.010 A 191 LYS CA . - A 191 LYS C . mod.= 1.402 id.= 1.533 dev= 0.131 sig.= 0.011 A 191 LYS C . - A 191 LYS O . mod.= 1.011 id.= 1.247 dev= 0.236 sig.= 0.019 A 192 GLN CA . - A 192 GLN C . mod.= 1.284 id.= 1.533 dev= 0.249 sig.= 0.011 A 192 GLN CG . - A 192 GLN CD . mod.= 1.242 id.= 1.509 dev= 0.267 sig.= 0.010 A 192 GLN CD . - A 192 GLN NE2 . mod.= 1.652 id.= 1.323 dev= -0.329 sig.= 0.011 A 192 GLN C . - A 192 GLN O . mod.= 1.007 id.= 1.247 dev= 0.240 sig.= 0.019 A 193 GLY N . - A 193 GLY CA . mod.= 1.721 id.= 1.476 dev= -0.245 sig.= 0.010 A 193 GLY C . - A 193 GLY O . mod.= 1.605 id.= 1.247 dev= -0.358 sig.= 0.019 A 194 PHE CA . - A 194 PHE CB . mod.= 1.707 id.= 1.531 dev= -0.176 sig.= 0.010 A 194 PHE CB . - A 194 PHE CG . mod.= 1.230 id.= 1.508 dev= 0.278 sig.= 0.010 A 194 PHE CG . - A 194 PHE CD2 . mod.= 1.526 id.= 1.385 dev= -0.141 sig.= 0.011 A 194 PHE CE1 . - A 194 PHE CZ . mod.= 1.123 id.= 1.376 dev= 0.253 sig.= 0.012 A 194 PHE CZ . - A 194 PHE CE2 . mod.= 1.246 id.= 1.376 dev= 0.130 sig.= 0.012 A 194 PHE CD2 . - A 194 PHE CE2 . mod.= 1.493 id.= 1.386 dev= -0.107 sig.= 0.010 A 194 PHE C . - A 194 PHE O . mod.= 1.500 id.= 1.247 dev= -0.253 sig.= 0.019 A 194 PHE C . - A 195 TRP N . mod.= 1.156 id.= 1.337 dev= 0.181 sig.= 0.011 A 195 TRP N . - A 195 TRP CA . mod.= 1.601 id.= 1.488 dev= -0.113 sig.= 0.010 A 195 TRP CA . - A 195 TRP C . mod.= 1.709 id.= 1.533 dev= -0.176 sig.= 0.011 A 195 TRP CB . - A 195 TRP CG . mod.= 1.286 id.= 1.498 dev= 0.212 sig.= 0.010 A 195 TRP CG . - A 195 TRP CD1 . mod.= 1.549 id.= 1.365 dev= -0.184 sig.= 0.010 A 195 TRP CD1 . - A 195 TRP NE1 . mod.= 1.484 id.= 1.369 dev= -0.115 sig.= 0.010 A 195 TRP NE1 . - A 195 TRP CE2 . mod.= 1.704 id.= 1.370 dev= -0.334 sig.= 0.010 A 195 TRP CE2 . - A 195 TRP CD2 . mod.= 1.651 id.= 1.411 dev= -0.240 sig.= 0.010 A 195 TRP CE2 . - A 195 TRP CZ2 . mod.= 0.984 id.= 1.394 dev= 0.410 sig.= 0.010 A 195 TRP CD2 . - A 195 TRP CE3 . mod.= 1.044 id.= 1.399 dev= 0.355 sig.= 0.010 A 195 TRP CE3 . - A 195 TRP CZ3 . mod.= 1.604 id.= 1.377 dev= -0.227 sig.= 0.010 A 195 TRP CZ3 . - A 195 TRP CH2 . mod.= 1.522 id.= 1.395 dev= -0.127 sig.= 0.011 A 195 TRP C . - A 195 TRP O . mod.= 0.902 id.= 1.247 dev= 0.345 sig.= 0.019 A 195 TRP C . - A 196 GLU N . mod.= 1.497 id.= 1.337 dev= -0.160 sig.= 0.011 A 196 GLU N . - A 196 GLU CA . mod.= 1.615 id.= 1.488 dev= -0.127 sig.= 0.011 A 196 GLU CA . - A 196 GLU C . mod.= 1.842 id.= 1.533 dev= -0.309 sig.= 0.011 A 196 GLU CD . - A 196 GLU OE2 . mod.= 1.009 id.= 1.247 dev= 0.238 sig.= 0.019 A 196 GLU C . - A 197 TRP N . mod.= 0.956 id.= 1.337 dev= 0.381 sig.= 0.011 A 197 TRP N . - A 197 TRP CA . mod.= 1.306 id.= 1.488 dev= 0.182 sig.= 0.010 A 197 TRP CA . - A 197 TRP C . mod.= 1.990 id.= 1.533 dev= -0.457 sig.= 0.011 A 197 TRP CB . - A 197 TRP CG . mod.= 1.359 id.= 1.498 dev= 0.139 sig.= 0.010 A 197 TRP CG . - A 197 TRP CD2 . mod.= 1.768 id.= 1.439 dev= -0.329 sig.= 0.010 A 197 TRP CD1 . - A 197 TRP NE1 . mod.= 1.746 id.= 1.369 dev= -0.377 sig.= 0.010 A 197 TRP NE1 . - A 197 TRP CE2 . mod.= 1.193 id.= 1.370 dev= 0.177 sig.= 0.010 A 197 TRP CE2 . - A 197 TRP CD2 . mod.= 1.608 id.= 1.411 dev= -0.197 sig.= 0.010 A 197 TRP CE3 . - A 197 TRP CZ3 . mod.= 1.520 id.= 1.377 dev= -0.143 sig.= 0.010 A 197 TRP CZ3 . - A 197 TRP CH2 . mod.= 1.223 id.= 1.395 dev= 0.172 sig.= 0.011 A 197 TRP CH2 . - A 197 TRP CZ2 . mod.= 1.488 id.= 1.376 dev= -0.112 sig.= 0.010 A 197 TRP C . - A 198 THR N . mod.= 1.116 id.= 1.337 dev= 0.221 sig.= 0.011 A 198 THR N . - A 198 THR CA . mod.= 1.303 id.= 1.488 dev= 0.185 sig.= 0.011 A 198 THR CA . - A 198 THR C . mod.= 1.760 id.= 1.533 dev= -0.227 sig.= 0.011 A 198 THR CB . - A 198 THR CG2 . mod.= 1.275 id.= 1.513 dev= 0.238 sig.= 0.010 A 198 THR C . - A 199 SER N . mod.= 1.198 id.= 1.337 dev= 0.139 sig.= 0.011 A 199 SER CB . - A 199 SER OG . mod.= 0.973 id.= 1.420 dev= 0.447 sig.= 0.014 A 199 SER C . - A 200 THR N . mod.= 1.022 id.= 1.337 dev= 0.315 sig.= 0.011 A 200 THR N . - A 200 THR CA . mod.= 1.672 id.= 1.488 dev= -0.184 sig.= 0.011 A 200 THR CA . - A 200 THR C . mod.= 1.361 id.= 1.533 dev= 0.172 sig.= 0.011 A 200 THR CB . - A 200 THR OG1 . mod.= 1.309 id.= 1.428 dev= 0.119 sig.= 0.010 A 200 THR CB . - A 200 THR CG2 . mod.= 1.212 id.= 1.513 dev= 0.301 sig.= 0.010 A 200 THR C . - A 201 GLY N . mod.= 0.990 id.= 1.337 dev= 0.347 sig.= 0.011 A 201 GLY N . - A 201 GLY CA . mod.= 1.991 id.= 1.476 dev= -0.515 sig.= 0.010 A 201 GLY C . - A 202 TYR N . mod.= 1.117 id.= 1.337 dev= 0.220 sig.= 0.011 A 202 TYR N . - A 202 TYR CA . mod.= 1.607 id.= 1.487 dev= -0.120 sig.= 0.010 A 202 TYR CA . - A 202 TYR CB . mod.= 1.303 id.= 1.531 dev= 0.228 sig.= 0.010 A 202 TYR CA . - A 202 TYR C . mod.= 1.807 id.= 1.533 dev= -0.274 sig.= 0.011 A 202 TYR CB . - A 202 TYR CG . mod.= 1.882 id.= 1.508 dev= -0.374 sig.= 0.010 A 202 TYR CD1 . - A 202 TYR CE1 . mod.= 1.542 id.= 1.385 dev= -0.157 sig.= 0.010 A 202 TYR CE1 . - A 202 TYR CZ . mod.= 1.118 id.= 1.383 dev= 0.265 sig.= 0.010 A 202 TYR CZ . - A 202 TYR OH . mod.= 1.796 id.= 1.365 dev= -0.431 sig.= 0.012 A 202 TYR CZ . - A 202 TYR CE2 . mod.= 1.628 id.= 1.383 dev= -0.245 sig.= 0.010 A 202 TYR C . - A 203 ALA N . mod.= 1.474 id.= 1.337 dev= -0.137 sig.= 0.011 A 203 ALA C . - A 204 VAL N . mod.= 1.625 id.= 1.337 dev= -0.288 sig.= 0.011 A 204 VAL N . - A 204 VAL CA . mod.= 1.382 id.= 1.494 dev= 0.112 sig.= 0.010 A 204 VAL CA . - A 204 VAL C . mod.= 1.656 id.= 1.533 dev= -0.123 sig.= 0.011 A 204 VAL C . - A 205 GLY N . mod.= 1.201 id.= 1.337 dev= 0.136 sig.= 0.011 A 205 GLY CA . - A 205 GLY C . mod.= 1.660 id.= 1.519 dev= -0.141 sig.= 0.012 A 205 GLY C . - A 205 GLY O . mod.= 1.600 id.= 1.247 dev= -0.353 sig.= 0.019 A 206 SER N . - A 206 SER CA A mod.= 1.339 id.= 1.487 dev= 0.148 sig.= 0.010 A 206 SER N . - A 206 SER CA B mod.= 1.165 id.= 1.487 dev= 0.322 sig.= 0.010 A 206 SER CA A - A 206 SER CB A mod.= 1.728 id.= 1.507 dev= -0.221 sig.= 0.018 A 206 SER CA A - A 206 SER C . mod.= 1.662 id.= 1.533 dev= -0.129 sig.= 0.011 A 206 SER CA B - A 206 SER CB B mod.= 1.845 id.= 1.507 dev= -0.338 sig.= 0.018 A 206 SER CB A - A 206 SER OG A mod.= 1.183 id.= 1.420 dev= 0.237 sig.= 0.014 A 206 SER CB B - A 206 SER OG B mod.= 1.274 id.= 1.420 dev= 0.146 sig.= 0.014 A 207 GLY N . - A 207 GLY CA . mod.= 1.583 id.= 1.476 dev= -0.107 sig.= 0.010 A 207 GLY CA . - A 207 GLY C . mod.= 1.790 id.= 1.519 dev= -0.271 sig.= 0.012 A 207 GLY C . - A 208 THR N . mod.= 1.211 id.= 1.337 dev= 0.126 sig.= 0.011 A 208 THR N . - A 208 THR CA A mod.= 1.094 id.= 1.488 dev= 0.394 sig.= 0.011 A 208 THR N . - A 208 THR CA B mod.= 1.030 id.= 1.488 dev= 0.458 sig.= 0.011 A 208 THR CA A - A 208 THR CB A mod.= 1.384 id.= 1.534 dev= 0.150 sig.= 0.010 A 208 THR CA A - A 208 THR C . mod.= 1.727 id.= 1.533 dev= -0.194 sig.= 0.011 A 208 THR CA B - A 208 THR CB B mod.= 1.706 id.= 1.534 dev= -0.172 sig.= 0.010 A 208 THR CA B - A 208 THR C . mod.= 1.724 id.= 1.533 dev= -0.191 sig.= 0.011 A 208 THR CB A - A 208 THR OG1 A mod.= 1.634 id.= 1.428 dev= -0.206 sig.= 0.010 A 208 THR CB A - A 208 THR CG2 A mod.= 1.817 id.= 1.513 dev= -0.304 sig.= 0.010 A 208 THR CB B - A 208 THR OG1 B mod.= 1.680 id.= 1.428 dev= -0.252 sig.= 0.010 A 208 THR C . - A 208 THR O . mod.= 1.042 id.= 1.247 dev= 0.205 sig.= 0.019 A 208 THR C . - A 209 PHE N . mod.= 1.213 id.= 1.337 dev= 0.124 sig.= 0.011 A 209 PHE N . - A 209 PHE CA . mod.= 1.146 id.= 1.487 dev= 0.341 sig.= 0.010 A 209 PHE CA . - A 209 PHE C . mod.= 1.663 id.= 1.533 dev= -0.130 sig.= 0.011 A 209 PHE CB . - A 209 PHE CG . mod.= 1.385 id.= 1.508 dev= 0.123 sig.= 0.010 A 209 PHE CG . - A 209 PHE CD2 . mod.= 1.667 id.= 1.385 dev= -0.282 sig.= 0.011 A 209 PHE CD1 . - A 209 PHE CE1 . mod.= 1.587 id.= 1.386 dev= -0.201 sig.= 0.010 A 209 PHE CZ . - A 209 PHE CE2 . mod.= 1.244 id.= 1.376 dev= 0.132 sig.= 0.012 A 210 LYS N . - A 210 LYS CA . mod.= 1.606 id.= 1.488 dev= -0.118 sig.= 0.011 A 210 LYS CA . - A 210 LYS CB . mod.= 1.410 id.= 1.532 dev= 0.122 sig.= 0.010 A 210 LYS CB . - A 210 LYS CG . mod.= 1.293 id.= 1.523 dev= 0.230 sig.= 0.012 A 210 LYS CD . - A 210 LYS CE . mod.= 0.960 id.= 1.514 dev= 0.554 sig.= 0.012 A 210 LYS C . - A 211 SER N . mod.= 1.572 id.= 1.337 dev= -0.235 sig.= 0.011 A 211 SER CA . - A 211 SER CB . mod.= 1.783 id.= 1.507 dev= -0.276 sig.= 0.018 A 211 SER CB . - A 211 SER OG . mod.= 1.842 id.= 1.420 dev= -0.422 sig.= 0.014 A 211 SER C . - A 211 SER O . mod.= 1.501 id.= 1.247 dev= -0.254 sig.= 0.019 A 212 THR N . - A 212 THR CA . mod.= 1.275 id.= 1.488 dev= 0.213 sig.= 0.011 A 212 THR CA . - A 212 THR CB . mod.= 1.779 id.= 1.534 dev= -0.245 sig.= 0.010 A 212 THR CA . - A 212 THR C . mod.= 1.145 id.= 1.533 dev= 0.388 sig.= 0.011 A 212 THR CB . - A 212 THR OG1 . mod.= 1.244 id.= 1.428 dev= 0.184 sig.= 0.010 A 212 THR CB . - A 212 THR CG2 . mod.= 1.675 id.= 1.513 dev= -0.162 sig.= 0.010 A 212 THR C . - A 212 THR O . mod.= 1.495 id.= 1.247 dev= -0.248 sig.= 0.019 A 212 THR C . - A 213 SER N . mod.= 1.534 id.= 1.337 dev= -0.197 sig.= 0.011 A 213 SER N . - A 213 SER CA . mod.= 1.330 id.= 1.487 dev= 0.157 sig.= 0.010 A 213 SER CA . - A 213 SER CB . mod.= 1.711 id.= 1.507 dev= -0.204 sig.= 0.018 A 213 SER C . - A 214 ILE N . mod.= 1.168 id.= 1.337 dev= 0.169 sig.= 0.011 A 214 ILE CA . - A 214 ILE C . mod.= 1.814 id.= 1.533 dev= -0.281 sig.= 0.011 A 214 ILE CB . - A 214 ILE CG1 . mod.= 1.317 id.= 1.531 dev= 0.214 sig.= 0.010 A 214 ILE C . - A 215 ASP N . mod.= 1.646 id.= 1.337 dev= -0.309 sig.= 0.011 A 215 ASP N . - A 215 ASP CA A mod.= 1.652 id.= 1.488 dev= -0.164 sig.= 0.010 A 215 ASP N . - A 215 ASP CA B mod.= 1.764 id.= 1.488 dev= -0.276 sig.= 0.010 A 215 ASP CA A - A 215 ASP C . mod.= 1.207 id.= 1.533 dev= 0.326 sig.= 0.011 A 215 ASP CA B - A 215 ASP C . mod.= 1.298 id.= 1.533 dev= 0.235 sig.= 0.011 A 215 ASP CB B - A 215 ASP CG B mod.= 1.691 id.= 1.519 dev= -0.172 sig.= 0.012 A 215 ASP CG A - A 215 ASP OD1 A mod.= 1.460 id.= 1.247 dev= -0.213 sig.= 0.019 A 215 ASP C . - A 215 ASP O . mod.= 1.580 id.= 1.247 dev= -0.333 sig.= 0.019 A 216 GLY N . - A 216 GLY CA . mod.= 1.903 id.= 1.476 dev= -0.427 sig.= 0.010 A 216 GLY CA . - A 216 GLY C . mod.= 1.238 id.= 1.519 dev= 0.281 sig.= 0.012 A 216 GLY C . - A 217 ILE N . mod.= 1.031 id.= 1.337 dev= 0.306 sig.= 0.011 A 217 ILE N . - A 217 ILE CA . mod.= 1.673 id.= 1.494 dev= -0.179 sig.= 0.010 A 217 ILE CA . - A 217 ILE C . mod.= 1.325 id.= 1.533 dev= 0.208 sig.= 0.011 A 217 ILE CB . - A 217 ILE CG1 . mod.= 1.932 id.= 1.531 dev= -0.401 sig.= 0.010 A 217 ILE CB . - A 217 ILE CG2 . mod.= 1.717 id.= 1.521 dev= -0.196 sig.= 0.014 A 217 ILE C . - A 218 ALA N . mod.= 1.631 id.= 1.337 dev= -0.294 sig.= 0.011 A 218 ALA N . - A 218 ALA CA . mod.= 1.766 id.= 1.482 dev= -0.284 sig.= 0.010 A 219 ASP N . - A 219 ASP CA . mod.= 1.626 id.= 1.488 dev= -0.138 sig.= 0.010 A 219 ASP CA . - A 219 ASP CB . mod.= 1.367 id.= 1.531 dev= 0.164 sig.= 0.011 A 219 ASP CA . - A 219 ASP C . mod.= 1.721 id.= 1.533 dev= -0.188 sig.= 0.011 A 219 ASP CB . - A 219 ASP CG . mod.= 1.731 id.= 1.519 dev= -0.212 sig.= 0.012 A 219 ASP C . - A 220 THR N . mod.= 1.473 id.= 1.337 dev= -0.136 sig.= 0.011 A 220 THR N . - A 220 THR CA . mod.= 1.775 id.= 1.488 dev= -0.287 sig.= 0.011 A 220 THR CA . - A 220 THR CB . mod.= 1.344 id.= 1.534 dev= 0.190 sig.= 0.010 A 220 THR CA . - A 220 THR C . mod.= 1.765 id.= 1.533 dev= -0.232 sig.= 0.011 A 220 THR CB . - A 220 THR OG1 . mod.= 1.722 id.= 1.428 dev= -0.294 sig.= 0.010 A 220 THR C . - A 221 GLY N . mod.= 1.693 id.= 1.337 dev= -0.356 sig.= 0.011 A 221 GLY CA . - A 221 GLY C . mod.= 1.677 id.= 1.519 dev= -0.158 sig.= 0.012 A 221 GLY C . - A 221 GLY O . mod.= 0.872 id.= 1.247 dev= 0.375 sig.= 0.019 A 222 THR N . - A 222 THR CA . mod.= 1.642 id.= 1.488 dev= -0.154 sig.= 0.011 A 222 THR CA . - A 222 THR CB . mod.= 1.683 id.= 1.534 dev= -0.149 sig.= 0.010 A 222 THR CB . - A 222 THR OG1 . mod.= 1.534 id.= 1.428 dev= -0.106 sig.= 0.010 A 222 THR C . - A 222 THR O . mod.= 1.048 id.= 1.247 dev= 0.199 sig.= 0.019 A 223 THR N . - A 223 THR CA . mod.= 1.870 id.= 1.488 dev= -0.382 sig.= 0.011 A 223 THR CA . - A 223 THR CB . mod.= 1.775 id.= 1.534 dev= -0.241 sig.= 0.010 A 223 THR CA . - A 223 THR C . mod.= 1.420 id.= 1.533 dev= 0.113 sig.= 0.011 A 223 THR CB . - A 223 THR OG1 . mod.= 1.695 id.= 1.428 dev= -0.267 sig.= 0.010 A 223 THR CB . - A 223 THR CG2 . mod.= 1.255 id.= 1.513 dev= 0.258 sig.= 0.010 A 223 THR C . - A 223 THR O . mod.= 1.056 id.= 1.247 dev= 0.191 sig.= 0.019 A 224 LEU N . - A 224 LEU CA . mod.= 1.083 id.= 1.488 dev= 0.405 sig.= 0.011 A 224 LEU CA . - A 224 LEU CB . mod.= 1.220 id.= 1.532 dev= 0.312 sig.= 0.010 A 224 LEU CA . - A 224 LEU C . mod.= 1.922 id.= 1.533 dev= -0.389 sig.= 0.011 A 224 LEU CB . - A 224 LEU CG . mod.= 1.802 id.= 1.528 dev= -0.274 sig.= 0.011 A 224 LEU CG . - A 224 LEU CD2 . mod.= 1.870 id.= 1.521 dev= -0.349 sig.= 0.015 A 224 LEU C . - A 225 LEU N . mod.= 1.101 id.= 1.337 dev= 0.236 sig.= 0.011 A 225 LEU N . - A 225 LEU CA . mod.= 1.754 id.= 1.488 dev= -0.266 sig.= 0.011 A 225 LEU CA . - A 225 LEU C . mod.= 1.302 id.= 1.533 dev= 0.231 sig.= 0.011 A 225 LEU CB . - A 225 LEU CG . mod.= 1.360 id.= 1.528 dev= 0.168 sig.= 0.011 A 225 LEU CG . - A 225 LEU CD1 . mod.= 1.879 id.= 1.521 dev= -0.358 sig.= 0.015 A 225 LEU CG . - A 225 LEU CD2 . mod.= 1.361 id.= 1.521 dev= 0.160 sig.= 0.015 A 225 LEU C . - A 226 TYR N . mod.= 1.453 id.= 1.337 dev= -0.116 sig.= 0.011 A 226 TYR N . - A 226 TYR CA . mod.= 1.354 id.= 1.487 dev= 0.133 sig.= 0.010 A 226 TYR CA . - A 226 TYR CB . mod.= 1.653 id.= 1.531 dev= -0.122 sig.= 0.010 A 226 TYR CA . - A 226 TYR C . mod.= 1.719 id.= 1.533 dev= -0.186 sig.= 0.011 A 226 TYR CG . - A 226 TYR CD1 . mod.= 1.043 id.= 1.385 dev= 0.342 sig.= 0.011 A 226 TYR CE1 . - A 226 TYR CZ . mod.= 1.534 id.= 1.383 dev= -0.151 sig.= 0.010 A 226 TYR CZ . - A 226 TYR OH . mod.= 1.504 id.= 1.365 dev= -0.139 sig.= 0.012 A 226 TYR CZ . - A 226 TYR CE2 . mod.= 1.138 id.= 1.383 dev= 0.245 sig.= 0.010 A 226 TYR CE2 . - A 226 TYR CD2 . mod.= 1.660 id.= 1.385 dev= -0.275 sig.= 0.010 A 227 LEU CA . - A 227 LEU C . mod.= 1.383 id.= 1.526 dev= 0.143 sig.= 0.010 A 227 LEU CG . - A 227 LEU CD1 . mod.= 1.176 id.= 1.521 dev= 0.345 sig.= 0.015 A 227 LEU CG . - A 227 LEU CD2 . mod.= 1.691 id.= 1.521 dev= -0.170 sig.= 0.015 A 227 LEU C . - A 228 PRO N . mod.= 1.211 id.= 1.352 dev= 0.141 sig.= 0.010 A 228 PRO N . - A 228 PRO CA . mod.= 1.658 id.= 1.464 dev= -0.194 sig.= 0.010 A 228 PRO CA . - A 228 PRO CB . mod.= 1.750 id.= 1.534 dev= -0.216 sig.= 0.013 A 228 PRO CA . - A 228 PRO C . mod.= 1.397 id.= 1.536 dev= 0.139 sig.= 0.010 A 228 PRO CG . - A 228 PRO CD . mod.= 1.354 id.= 1.515 dev= 0.161 sig.= 0.012 A 228 PRO C . - A 229 ALA N . mod.= 1.700 id.= 1.337 dev= -0.363 sig.= 0.011 A 229 ALA C . - A 229 ALA O . mod.= 1.553 id.= 1.247 dev= -0.306 sig.= 0.019 A 229 ALA C . - A 230 THR N . mod.= 1.154 id.= 1.337 dev= 0.183 sig.= 0.011 A 230 THR CA . - A 230 THR C . mod.= 1.408 id.= 1.533 dev= 0.125 sig.= 0.011 A 230 THR CB . - A 230 THR OG1 . mod.= 1.722 id.= 1.428 dev= -0.294 sig.= 0.010 A 231 VAL N . - A 231 VAL CA . mod.= 1.926 id.= 1.494 dev= -0.432 sig.= 0.010 A 231 VAL CA . - A 231 VAL CB . mod.= 1.055 id.= 1.541 dev= 0.486 sig.= 0.010 A 231 VAL CB . - A 231 VAL CG1 . mod.= 1.786 id.= 1.521 dev= -0.265 sig.= 0.014 A 231 VAL C . - A 232 VAL N . mod.= 1.616 id.= 1.337 dev= -0.279 sig.= 0.011 A 232 VAL CA . - A 232 VAL CB . mod.= 1.272 id.= 1.541 dev= 0.269 sig.= 0.010 A 232 VAL CA . - A 232 VAL C . mod.= 1.849 id.= 1.533 dev= -0.316 sig.= 0.011 A 232 VAL C . - A 233 SER N . mod.= 1.108 id.= 1.337 dev= 0.229 sig.= 0.011 A 233 SER CA . - A 233 SER C . mod.= 1.884 id.= 1.533 dev= -0.351 sig.= 0.011 A 233 SER CB . - A 233 SER OG . mod.= 1.235 id.= 1.420 dev= 0.185 sig.= 0.014 A 234 ALA N . - A 234 ALA CA . mod.= 1.097 id.= 1.482 dev= 0.385 sig.= 0.010 A 234 ALA CA . - A 234 ALA CB . mod.= 1.651 id.= 1.509 dev= -0.142 sig.= 0.014 A 234 ALA CA . - A 234 ALA C . mod.= 1.363 id.= 1.533 dev= 0.170 sig.= 0.011 A 235 TYR N . - A 235 TYR CA . mod.= 1.751 id.= 1.487 dev= -0.264 sig.= 0.010 A 235 TYR CB . - A 235 TYR CG . mod.= 1.387 id.= 1.508 dev= 0.121 sig.= 0.010 A 235 TYR CG . - A 235 TYR CD1 . mod.= 1.274 id.= 1.385 dev= 0.111 sig.= 0.011 A 235 TYR CG . - A 235 TYR CD2 . mod.= 1.679 id.= 1.385 dev= -0.294 sig.= 0.011 A 235 TYR CZ . - A 235 TYR CE2 . mod.= 1.091 id.= 1.383 dev= 0.292 sig.= 0.010 A 235 TYR CE2 . - A 235 TYR CD2 . mod.= 1.519 id.= 1.385 dev= -0.134 sig.= 0.010 A 235 TYR C . - A 236 TRP N . mod.= 1.571 id.= 1.337 dev= -0.234 sig.= 0.011 A 236 TRP CA . - A 236 TRP CB . mod.= 1.261 id.= 1.534 dev= 0.273 sig.= 0.012 A 236 TRP CB . - A 236 TRP CG . mod.= 1.780 id.= 1.498 dev= -0.282 sig.= 0.010 A 236 TRP CG . - A 236 TRP CD1 . mod.= 1.535 id.= 1.365 dev= -0.170 sig.= 0.010 A 236 TRP CG . - A 236 TRP CD2 . mod.= 1.167 id.= 1.439 dev= 0.272 sig.= 0.010 A 236 TRP CE2 . - A 236 TRP CZ2 . mod.= 1.776 id.= 1.394 dev= -0.382 sig.= 0.010 A 236 TRP CE3 . - A 236 TRP CZ3 . mod.= 1.696 id.= 1.377 dev= -0.319 sig.= 0.010 A 236 TRP CZ3 . - A 236 TRP CH2 . mod.= 1.255 id.= 1.395 dev= 0.140 sig.= 0.011 A 237 ALA N . - A 237 ALA CA . mod.= 1.686 id.= 1.482 dev= -0.204 sig.= 0.010 A 237 ALA CA . - A 237 ALA C . mod.= 1.704 id.= 1.533 dev= -0.171 sig.= 0.011 A 238 GLN N . - A 238 GLN CA . mod.= 1.290 id.= 1.488 dev= 0.198 sig.= 0.011 A 238 GLN CA . - A 238 GLN C . mod.= 1.111 id.= 1.533 dev= 0.422 sig.= 0.011 A 238 GLN CG . - A 238 GLN CD . mod.= 1.626 id.= 1.509 dev= -0.117 sig.= 0.010 A 238 GLN CD . - A 238 GLN OE1 . mod.= 1.639 id.= 1.229 dev= -0.410 sig.= 0.012 A 238 GLN C . - A 239 VAL N . mod.= 1.665 id.= 1.337 dev= -0.328 sig.= 0.011 A 239 VAL N . - A 239 VAL CA . mod.= 1.184 id.= 1.494 dev= 0.310 sig.= 0.010 A 239 VAL CA . - A 239 VAL C . mod.= 1.982 id.= 1.533 dev= -0.449 sig.= 0.011 A 239 VAL C . - A 239 VAL O . mod.= 0.955 id.= 1.247 dev= 0.292 sig.= 0.019 A 239 VAL C . - A 240 SER N . mod.= 1.073 id.= 1.337 dev= 0.264 sig.= 0.011 A 240 SER N . - A 240 SER CA A mod.= 1.721 id.= 1.487 dev= -0.234 sig.= 0.010 A 240 SER N . - A 240 SER CA B mod.= 1.839 id.= 1.487 dev= -0.352 sig.= 0.010 A 240 SER CA A - A 240 SER CB A mod.= 1.742 id.= 1.507 dev= -0.235 sig.= 0.018 A 240 SER CA A - A 240 SER C . mod.= 1.170 id.= 1.533 dev= 0.363 sig.= 0.011 A 240 SER CA B - A 240 SER CB B mod.= 1.296 id.= 1.507 dev= 0.211 sig.= 0.018 A 240 SER CA B - A 240 SER C . mod.= 1.380 id.= 1.533 dev= 0.153 sig.= 0.011 A 240 SER CB B - A 240 SER OG B mod.= 1.567 id.= 1.420 dev= -0.147 sig.= 0.014 A 240 SER C . - A 241 GLY N . mod.= 1.625 id.= 1.337 dev= -0.288 sig.= 0.011 A 241 GLY N . - A 241 GLY CA . mod.= 1.372 id.= 1.476 dev= 0.104 sig.= 0.010 A 241 GLY C . - A 242 ALA N . mod.= 1.613 id.= 1.337 dev= -0.276 sig.= 0.011 A 242 ALA CA . - A 242 ALA CB . mod.= 1.300 id.= 1.509 dev= 0.209 sig.= 0.014 A 242 ALA C . - A 243 LYS N . mod.= 1.198 id.= 1.337 dev= 0.139 sig.= 0.011 A 243 LYS CA . - A 243 LYS CB . mod.= 1.242 id.= 1.532 dev= 0.290 sig.= 0.010 A 243 LYS CB . - A 243 LYS CG . mod.= 1.830 id.= 1.523 dev= -0.307 sig.= 0.012 A 244 SER N . - A 244 SER CA . mod.= 1.772 id.= 1.487 dev= -0.285 sig.= 0.010 A 245 SER CA . - A 245 SER C . mod.= 1.742 id.= 1.533 dev= -0.209 sig.= 0.011 A 245 SER C . - A 245 SER O . mod.= 1.028 id.= 1.247 dev= 0.219 sig.= 0.019 A 245 SER C . - A 246 SER N . mod.= 1.117 id.= 1.337 dev= 0.220 sig.= 0.011 A 246 SER N . - A 246 SER CA . mod.= 1.819 id.= 1.487 dev= -0.332 sig.= 0.010 A 246 SER CA . - A 246 SER CB . mod.= 1.028 id.= 1.507 dev= 0.479 sig.= 0.018 A 246 SER CA . - A 246 SER C . mod.= 1.390 id.= 1.533 dev= 0.143 sig.= 0.011 A 247 SER N . - A 247 SER CA . mod.= 1.740 id.= 1.487 dev= -0.253 sig.= 0.010 A 247 SER CA . - A 247 SER CB . mod.= 1.121 id.= 1.507 dev= 0.386 sig.= 0.018 A 247 SER CA . - A 247 SER C . mod.= 1.783 id.= 1.533 dev= -0.250 sig.= 0.011 A 247 SER CB . - A 247 SER OG . mod.= 1.612 id.= 1.420 dev= -0.192 sig.= 0.014 A 248 VAL N . - A 248 VAL CA . mod.= 1.614 id.= 1.494 dev= -0.120 sig.= 0.010 A 248 VAL CA . - A 248 VAL CB . mod.= 1.261 id.= 1.541 dev= 0.280 sig.= 0.010 A 248 VAL CA . - A 248 VAL C . mod.= 1.945 id.= 1.533 dev= -0.412 sig.= 0.011 A 248 VAL CB . - A 248 VAL CG1 . mod.= 1.813 id.= 1.521 dev= -0.292 sig.= 0.014 A 248 VAL C . - A 248 VAL O . mod.= 1.034 id.= 1.247 dev= 0.213 sig.= 0.019 A 248 VAL C . - A 249 GLY N . mod.= 1.021 id.= 1.337 dev= 0.316 sig.= 0.011 A 249 GLY N . - A 249 GLY CA . mod.= 1.809 id.= 1.476 dev= -0.333 sig.= 0.010 A 249 GLY C . - A 250 GLY N . mod.= 1.553 id.= 1.337 dev= -0.216 sig.= 0.011 A 251 TYR CA . - A 251 TYR CB . mod.= 1.360 id.= 1.531 dev= 0.171 sig.= 0.010 A 251 TYR CA . - A 251 TYR C . mod.= 1.646 id.= 1.533 dev= -0.113 sig.= 0.011 A 251 TYR CG . - A 251 TYR CD1 . mod.= 1.662 id.= 1.385 dev= -0.277 sig.= 0.011 A 251 TYR CE1 . - A 251 TYR CZ . mod.= 1.029 id.= 1.383 dev= 0.354 sig.= 0.010 A 251 TYR CZ . - A 251 TYR CE2 . mod.= 1.283 id.= 1.383 dev= 0.100 sig.= 0.010 A 251 TYR C . - A 251 TYR O . mod.= 1.498 id.= 1.247 dev= -0.251 sig.= 0.019 A 251 TYR C . - A 252 VAL N . mod.= 0.937 id.= 1.337 dev= 0.400 sig.= 0.011 A 252 VAL CA . - A 252 VAL CB . mod.= 1.237 id.= 1.541 dev= 0.304 sig.= 0.010 A 252 VAL CA . - A 252 VAL C . mod.= 1.661 id.= 1.533 dev= -0.128 sig.= 0.011 A 252 VAL CB . - A 252 VAL CG2 . mod.= 1.784 id.= 1.521 dev= -0.263 sig.= 0.014 A 253 PHE N . - A 253 PHE CA . mod.= 1.692 id.= 1.487 dev= -0.205 sig.= 0.010 A 253 PHE CA . - A 253 PHE CB . mod.= 1.671 id.= 1.531 dev= -0.140 sig.= 0.010 A 253 PHE CA . - A 253 PHE C . mod.= 1.148 id.= 1.526 dev= 0.378 sig.= 0.010 A 253 PHE CG . - A 253 PHE CD1 . mod.= 1.570 id.= 1.385 dev= -0.185 sig.= 0.011 A 253 PHE CG . - A 253 PHE CD2 . mod.= 1.501 id.= 1.385 dev= -0.116 sig.= 0.011 A 253 PHE CD1 . - A 253 PHE CE1 . mod.= 1.134 id.= 1.386 dev= 0.252 sig.= 0.010 A 253 PHE CZ . - A 253 PHE CE2 . mod.= 1.511 id.= 1.376 dev= -0.135 sig.= 0.012 A 253 PHE C . - A 254 PRO N . mod.= 1.657 id.= 1.352 dev= -0.305 sig.= 0.010 A 254 PRO N . - A 254 PRO CA . mod.= 1.595 id.= 1.464 dev= -0.131 sig.= 0.010 A 254 PRO N . - A 254 PRO CD . mod.= 1.152 id.= 1.473 dev= 0.321 sig.= 0.011 A 254 PRO CA . - A 254 PRO CB . mod.= 1.341 id.= 1.534 dev= 0.193 sig.= 0.013 A 254 PRO CA . - A 254 PRO C . mod.= 1.732 id.= 1.536 dev= -0.196 sig.= 0.010 A 254 PRO CB . - A 254 PRO CG . mod.= 1.709 id.= 1.508 dev= -0.201 sig.= 0.020 A 254 PRO C . - A 254 PRO O . mod.= 1.580 id.= 1.218 dev= -0.362 sig.= 0.020 A 254 PRO C . - A 255 CYS N . mod.= 1.047 id.= 1.337 dev= 0.290 sig.= 0.011 A 255 CYS N . - A 255 CYS CA . mod.= 1.270 id.= 1.488 dev= 0.218 sig.= 0.011 A 255 CYS CA . - A 255 CYS C . mod.= 1.763 id.= 1.533 dev= -0.230 sig.= 0.011 A 255 CYS CB . - A 255 CYS SG . mod.= 1.913 id.= 1.812 dev= -0.101 sig.= 0.010 A 255 CYS C . - A 256 SER N . mod.= 1.043 id.= 1.337 dev= 0.294 sig.= 0.011 A 256 SER N . - A 256 SER CA . mod.= 1.826 id.= 1.487 dev= -0.339 sig.= 0.010 A 256 SER CA . - A 256 SER CB . mod.= 1.750 id.= 1.507 dev= -0.243 sig.= 0.018 A 256 SER CA . - A 256 SER C . mod.= 1.414 id.= 1.533 dev= 0.119 sig.= 0.011 A 256 SER C . - A 256 SER O . mod.= 1.508 id.= 1.247 dev= -0.261 sig.= 0.019 A 256 SER C . - A 257 ALA N . mod.= 1.013 id.= 1.337 dev= 0.324 sig.= 0.011 A 257 ALA CA . - A 257 ALA CB . mod.= 1.315 id.= 1.509 dev= 0.194 sig.= 0.014 A 257 ALA CA . - A 257 ALA C . mod.= 1.724 id.= 1.533 dev= -0.191 sig.= 0.011 A 257 ALA C . - A 258 THR N . mod.= 1.522 id.= 1.337 dev= -0.185 sig.= 0.011 A 258 THR CA . - A 258 THR C . mod.= 1.408 id.= 1.533 dev= 0.125 sig.= 0.011 A 258 THR CB . - A 258 THR CG2 . mod.= 1.370 id.= 1.513 dev= 0.143 sig.= 0.010 A 259 LEU N . - A 259 LEU CA . mod.= 1.358 id.= 1.488 dev= 0.130 sig.= 0.011 A 259 LEU CA . - A 259 LEU C . mod.= 1.362 id.= 1.526 dev= 0.164 sig.= 0.010 A 259 LEU CB . - A 259 LEU CG . mod.= 1.363 id.= 1.528 dev= 0.165 sig.= 0.011 A 259 LEU CG . - A 259 LEU CD2 . mod.= 1.699 id.= 1.521 dev= -0.178 sig.= 0.015 A 259 LEU C . - A 260 PRO N . mod.= 1.550 id.= 1.352 dev= -0.198 sig.= 0.010 A 260 PRO N . - A 260 PRO CD . mod.= 1.825 id.= 1.473 dev= -0.352 sig.= 0.011 A 260 PRO CA . - A 260 PRO CB . mod.= 1.392 id.= 1.534 dev= 0.142 sig.= 0.013 A 260 PRO CG . - A 260 PRO CD . mod.= 1.678 id.= 1.515 dev= -0.163 sig.= 0.012 A 260 PRO C . - A 260 PRO O . mod.= 1.568 id.= 1.218 dev= -0.350 sig.= 0.020 A 260 PRO C . - A 261 SER N . mod.= 1.595 id.= 1.337 dev= -0.258 sig.= 0.011 A 261 SER CB . - A 261 SER OG . mod.= 1.597 id.= 1.420 dev= -0.177 sig.= 0.014 A 261 SER C . - A 261 SER O . mod.= 1.571 id.= 1.247 dev= -0.324 sig.= 0.019 A 262 PHE N . - A 262 PHE CA . mod.= 1.702 id.= 1.487 dev= -0.215 sig.= 0.010 A 262 PHE CA . - A 262 PHE CB . mod.= 1.782 id.= 1.531 dev= -0.251 sig.= 0.010 A 262 PHE CA . - A 262 PHE C . mod.= 1.798 id.= 1.533 dev= -0.265 sig.= 0.011 A 262 PHE CB . - A 262 PHE CG . mod.= 1.958 id.= 1.508 dev= -0.450 sig.= 0.010 A 262 PHE CD1 . - A 262 PHE CE1 . mod.= 1.573 id.= 1.386 dev= -0.187 sig.= 0.010 A 262 PHE CE1 . - A 262 PHE CZ . mod.= 1.544 id.= 1.376 dev= -0.168 sig.= 0.012 A 262 PHE CZ . - A 262 PHE CE2 . mod.= 1.188 id.= 1.376 dev= 0.188 sig.= 0.012 A 262 PHE CD2 . - A 262 PHE CE2 . mod.= 1.755 id.= 1.386 dev= -0.369 sig.= 0.010 A 262 PHE C . - A 263 THR N . mod.= 1.522 id.= 1.337 dev= -0.185 sig.= 0.011 A 263 THR N . - A 263 THR CA . mod.= 1.109 id.= 1.488 dev= 0.379 sig.= 0.011 A 263 THR CA . - A 263 THR C . mod.= 1.850 id.= 1.533 dev= -0.317 sig.= 0.011 A 263 THR CB . - A 263 THR CG2 . mod.= 1.402 id.= 1.513 dev= 0.111 sig.= 0.010 A 263 THR C . - A 264 PHE N . mod.= 1.492 id.= 1.337 dev= -0.155 sig.= 0.011 A 264 PHE CA . - A 264 PHE CB . mod.= 1.917 id.= 1.531 dev= -0.386 sig.= 0.010 A 264 PHE CA . - A 264 PHE C . mod.= 1.809 id.= 1.533 dev= -0.276 sig.= 0.011 A 264 PHE CB . - A 264 PHE CG . mod.= 1.285 id.= 1.508 dev= 0.223 sig.= 0.010 A 264 PHE CG . - A 264 PHE CD1 . mod.= 1.682 id.= 1.385 dev= -0.297 sig.= 0.011 A 264 PHE CD1 . - A 264 PHE CE1 . mod.= 1.630 id.= 1.386 dev= -0.244 sig.= 0.010 A 264 PHE CD2 . - A 264 PHE CE2 . mod.= 1.700 id.= 1.386 dev= -0.314 sig.= 0.010 A 264 PHE C . - A 264 PHE O . mod.= 1.591 id.= 1.247 dev= -0.344 sig.= 0.019 A 264 PHE C . - A 265 GLY N . mod.= 0.905 id.= 1.337 dev= 0.432 sig.= 0.011 A 265 GLY N . - A 265 GLY CA . mod.= 1.827 id.= 1.476 dev= -0.351 sig.= 0.010 A 265 GLY C . - A 265 GLY O . mod.= 1.624 id.= 1.247 dev= -0.377 sig.= 0.019 A 265 GLY C . - A 266 VAL N . mod.= 1.447 id.= 1.337 dev= -0.110 sig.= 0.011 A 266 VAL N . - A 266 VAL CA . mod.= 1.364 id.= 1.494 dev= 0.130 sig.= 0.010 A 266 VAL CA . - A 266 VAL CB . mod.= 1.205 id.= 1.541 dev= 0.336 sig.= 0.010 A 266 VAL CA . - A 266 VAL C . mod.= 1.838 id.= 1.533 dev= -0.305 sig.= 0.011 A 266 VAL CB . - A 266 VAL CG2 . mod.= 1.793 id.= 1.521 dev= -0.272 sig.= 0.014 A 266 VAL C . - A 267 GLY N . mod.= 1.087 id.= 1.337 dev= 0.250 sig.= 0.011 A 267 GLY N . - A 267 GLY CA . mod.= 1.621 id.= 1.476 dev= -0.145 sig.= 0.010 A 267 GLY CA . - A 267 GLY C . mod.= 1.775 id.= 1.519 dev= -0.256 sig.= 0.012 A 267 GLY C . - A 267 GLY O . mod.= 0.869 id.= 1.247 dev= 0.378 sig.= 0.019 A 268 SER CA . - A 268 SER CB . mod.= 1.729 id.= 1.507 dev= -0.222 sig.= 0.018 A 269 ALA CA . - A 269 ALA CB . mod.= 1.755 id.= 1.509 dev= -0.246 sig.= 0.014 A 269 ALA CA . - A 269 ALA C . mod.= 1.161 id.= 1.533 dev= 0.372 sig.= 0.011 A 269 ALA C . - A 269 ALA O . mod.= 1.459 id.= 1.247 dev= -0.212 sig.= 0.019 A 269 ALA C . - A 270 ARG N . mod.= 1.615 id.= 1.337 dev= -0.278 sig.= 0.011 A 270 ARG N . - A 270 ARG CA . mod.= 1.210 id.= 1.488 dev= 0.278 sig.= 0.011 A 270 ARG CA . - A 270 ARG C . mod.= 1.390 id.= 1.533 dev= 0.143 sig.= 0.011 A 270 ARG CB . - A 270 ARG CG . mod.= 1.213 id.= 1.522 dev= 0.309 sig.= 0.010 A 270 ARG NE . - A 270 ARG CZ . mod.= 1.746 id.= 1.328 dev= -0.418 sig.= 0.013 A 270 ARG CZ . - A 270 ARG NH1 . mod.= 1.603 id.= 1.322 dev= -0.281 sig.= 0.010 A 270 ARG CZ . - A 270 ARG NH2 . mod.= 1.192 id.= 1.321 dev= 0.129 sig.= 0.011 A 270 ARG C . - A 271 ILE N . mod.= 1.542 id.= 1.337 dev= -0.205 sig.= 0.011 A 271 ILE N . - A 271 ILE CA . mod.= 1.320 id.= 1.494 dev= 0.174 sig.= 0.010 A 271 ILE CA . - A 271 ILE C . mod.= 1.279 id.= 1.533 dev= 0.254 sig.= 0.011 A 271 ILE CB . - A 271 ILE CG1 . mod.= 1.855 id.= 1.531 dev= -0.324 sig.= 0.010 A 271 ILE C . - A 272 VAL N . mod.= 1.607 id.= 1.337 dev= -0.270 sig.= 0.011 A 272 VAL N . - A 272 VAL CA . mod.= 1.753 id.= 1.494 dev= -0.259 sig.= 0.010 A 272 VAL CA . - A 272 VAL CB . mod.= 1.254 id.= 1.541 dev= 0.287 sig.= 0.010 A 272 VAL CA . - A 272 VAL C . mod.= 1.756 id.= 1.533 dev= -0.223 sig.= 0.011 A 272 VAL CB . - A 272 VAL CG1 . mod.= 1.371 id.= 1.521 dev= 0.150 sig.= 0.014 A 273 ILE CA . - A 273 ILE C . mod.= 1.787 id.= 1.526 dev= -0.261 sig.= 0.010 A 273 ILE CB . - A 273 ILE CG2 . mod.= 1.220 id.= 1.521 dev= 0.301 sig.= 0.014 A 273 ILE CG1 . - A 273 ILE CD1 . mod.= 1.167 id.= 1.511 dev= 0.344 sig.= 0.020 A 273 ILE C . - A 274 PRO N . mod.= 1.060 id.= 1.352 dev= 0.292 sig.= 0.010 A 274 PRO N . - A 274 PRO CA . mod.= 1.567 id.= 1.464 dev= -0.103 sig.= 0.010 A 274 PRO N . - A 274 PRO CD . mod.= 1.697 id.= 1.473 dev= -0.224 sig.= 0.011 A 274 PRO CA . - A 274 PRO CB . mod.= 1.398 id.= 1.534 dev= 0.136 sig.= 0.013 A 274 PRO CA . - A 274 PRO C . mod.= 1.645 id.= 1.536 dev= -0.109 sig.= 0.010 A 274 PRO CB . - A 274 PRO CG . mod.= 1.773 id.= 1.508 dev= -0.265 sig.= 0.020 A 274 PRO CG . - A 274 PRO CD . mod.= 1.314 id.= 1.515 dev= 0.201 sig.= 0.012 A 274 PRO C . - A 275 GLY N . mod.= 1.168 id.= 1.337 dev= 0.169 sig.= 0.011 A 275 GLY N . - A 275 GLY CA . mod.= 1.158 id.= 1.476 dev= 0.318 sig.= 0.010 A 275 GLY CA . - A 275 GLY C . mod.= 1.877 id.= 1.519 dev= -0.358 sig.= 0.012 A 275 GLY C . - A 276 ASP N . mod.= 1.477 id.= 1.337 dev= -0.140 sig.= 0.011 A 276 ASP N . - A 276 ASP CA . mod.= 1.341 id.= 1.488 dev= 0.147 sig.= 0.010 A 276 ASP CA . - A 276 ASP C . mod.= 1.707 id.= 1.533 dev= -0.174 sig.= 0.011 A 276 ASP C . - A 277 TYR N . mod.= 1.149 id.= 1.337 dev= 0.188 sig.= 0.011 A 277 TYR N . - A 277 TYR CA . mod.= 1.292 id.= 1.487 dev= 0.195 sig.= 0.010 A 277 TYR CA . - A 277 TYR CB . mod.= 1.928 id.= 1.531 dev= -0.397 sig.= 0.010 A 277 TYR CB . - A 277 TYR CG . mod.= 1.142 id.= 1.508 dev= 0.366 sig.= 0.010 A 277 TYR CG . - A 277 TYR CD2 . mod.= 1.585 id.= 1.385 dev= -0.200 sig.= 0.011 A 277 TYR CD1 . - A 277 TYR CE1 . mod.= 1.180 id.= 1.385 dev= 0.205 sig.= 0.010 A 277 TYR CE2 . - A 277 TYR CD2 . mod.= 1.232 id.= 1.385 dev= 0.153 sig.= 0.010 A 277 TYR C . - A 278 ILE N . mod.= 1.189 id.= 1.337 dev= 0.148 sig.= 0.011 A 278 ILE CA . - A 278 ILE CB . mod.= 1.826 id.= 1.542 dev= -0.284 sig.= 0.011 A 278 ILE CA . - A 278 ILE C . mod.= 1.788 id.= 1.533 dev= -0.255 sig.= 0.011 A 278 ILE CB . - A 278 ILE CG1 . mod.= 1.731 id.= 1.531 dev= -0.200 sig.= 0.010 A 278 ILE C . - A 278 ILE O . mod.= 0.873 id.= 1.247 dev= 0.374 sig.= 0.019 A 279 ASP N . - A 279 ASP CA . mod.= 1.357 id.= 1.488 dev= 0.131 sig.= 0.010 A 279 ASP CA . - A 279 ASP CB . mod.= 1.927 id.= 1.531 dev= -0.396 sig.= 0.011 A 279 ASP CA . - A 279 ASP C . mod.= 1.676 id.= 1.533 dev= -0.143 sig.= 0.011 A 279 ASP CG . - A 279 ASP OD2 . mod.= 1.006 id.= 1.247 dev= 0.241 sig.= 0.019 A 279 ASP C . - A 280 PHE N . mod.= 1.055 id.= 1.337 dev= 0.282 sig.= 0.011 A 280 PHE N . - A 280 PHE CA . mod.= 1.659 id.= 1.487 dev= -0.172 sig.= 0.010 A 280 PHE CG . - A 280 PHE CD2 . mod.= 1.669 id.= 1.385 dev= -0.284 sig.= 0.011 A 280 PHE CD1 . - A 280 PHE CE1 . mod.= 1.505 id.= 1.386 dev= -0.119 sig.= 0.010 A 280 PHE CZ . - A 280 PHE CE2 . mod.= 1.630 id.= 1.376 dev= -0.254 sig.= 0.012 A 280 PHE C . - A 281 GLY N . mod.= 1.534 id.= 1.337 dev= -0.197 sig.= 0.011 A 281 GLY CA . - A 281 GLY C . mod.= 1.822 id.= 1.526 dev= -0.296 sig.= 0.010 A 281 GLY C . - A 281 GLY O . mod.= 1.055 id.= 1.229 dev= 0.174 sig.= 0.012 A 282 PRO N . - A 282 PRO CA . mod.= 1.182 id.= 1.464 dev= 0.282 sig.= 0.010 A 282 PRO N . - A 282 PRO CD . mod.= 1.642 id.= 1.473 dev= -0.169 sig.= 0.011 A 282 PRO CA . - A 282 PRO CB . mod.= 1.890 id.= 1.534 dev= -0.356 sig.= 0.013 A 282 PRO CA . - A 282 PRO C . mod.= 1.399 id.= 1.536 dev= 0.137 sig.= 0.010 A 282 PRO CB . - A 282 PRO CG . mod.= 1.724 id.= 1.508 dev= -0.216 sig.= 0.020 A 283 ILE N . - A 283 ILE CA . mod.= 1.268 id.= 1.494 dev= 0.226 sig.= 0.010 A 283 ILE CA . - A 283 ILE CB . mod.= 1.305 id.= 1.542 dev= 0.237 sig.= 0.011 A 283 ILE CA . - A 283 ILE C . mod.= 1.883 id.= 1.533 dev= -0.350 sig.= 0.011 A 283 ILE CB . - A 283 ILE CG2 . mod.= 1.691 id.= 1.521 dev= -0.170 sig.= 0.014 A 283 ILE C . - A 284 SER N . mod.= 1.511 id.= 1.337 dev= -0.174 sig.= 0.011 A 284 SER N . - A 284 SER CA . mod.= 1.380 id.= 1.487 dev= 0.107 sig.= 0.010 A 284 SER CA . - A 284 SER CB . mod.= 1.722 id.= 1.507 dev= -0.215 sig.= 0.018 A 284 SER CA . - A 284 SER C . mod.= 1.769 id.= 1.533 dev= -0.236 sig.= 0.011 A 285 THR N . - A 285 THR CA . mod.= 1.674 id.= 1.488 dev= -0.186 sig.= 0.011 A 285 THR CA . - A 285 THR C . mod.= 1.824 id.= 1.533 dev= -0.291 sig.= 0.011 A 285 THR CB . - A 285 THR OG1 . mod.= 1.068 id.= 1.428 dev= 0.360 sig.= 0.010 A 285 THR CB . - A 285 THR CG2 . mod.= 1.842 id.= 1.513 dev= -0.329 sig.= 0.010 A 285 THR C . - A 286 GLY N . mod.= 1.010 id.= 1.337 dev= 0.327 sig.= 0.011 A 286 GLY N . - A 286 GLY CA . mod.= 1.273 id.= 1.476 dev= 0.203 sig.= 0.010 A 286 GLY CA . - A 286 GLY C . mod.= 1.701 id.= 1.519 dev= -0.182 sig.= 0.012 A 286 GLY C . - A 287 SER N . mod.= 1.087 id.= 1.337 dev= 0.250 sig.= 0.011 A 287 SER N . - A 287 SER CA . mod.= 1.589 id.= 1.487 dev= -0.102 sig.= 0.010 A 287 SER CA . - A 287 SER C . mod.= 1.385 id.= 1.533 dev= 0.148 sig.= 0.011 A 287 SER CB . - A 287 SER OG . mod.= 1.217 id.= 1.420 dev= 0.203 sig.= 0.014 A 288 SER N . - A 288 SER CA . mod.= 1.307 id.= 1.487 dev= 0.180 sig.= 0.010 A 288 SER CA . - A 288 SER C . mod.= 1.389 id.= 1.533 dev= 0.144 sig.= 0.011 A 288 SER C . - A 288 SER O . mod.= 1.521 id.= 1.247 dev= -0.274 sig.= 0.019 A 288 SER C . - A 289 SER N . mod.= 1.682 id.= 1.337 dev= -0.345 sig.= 0.011 A 289 SER N . - A 289 SER CA A mod.= 1.174 id.= 1.487 dev= 0.313 sig.= 0.010 A 289 SER N . - A 289 SER CA B mod.= 0.898 id.= 1.487 dev= 0.589 sig.= 0.010 A 289 SER CA A - A 289 SER CB A mod.= 1.093 id.= 1.507 dev= 0.414 sig.= 0.018 A 289 SER CA A - A 289 SER C . mod.= 1.279 id.= 1.533 dev= 0.254 sig.= 0.011 A 289 SER CA B - A 289 SER C . mod.= 1.308 id.= 1.533 dev= 0.225 sig.= 0.011 A 289 SER CB A - A 289 SER OG A mod.= 1.650 id.= 1.420 dev= -0.230 sig.= 0.014 A 290 CYS N . - A 290 CYS CA . mod.= 1.759 id.= 1.488 dev= -0.271 sig.= 0.011 A 290 CYS CA . - A 290 CYS CB . mod.= 1.360 id.= 1.524 dev= 0.164 sig.= 0.010 A 290 CYS CB . - A 290 CYS SG . mod.= 1.606 id.= 1.812 dev= 0.206 sig.= 0.010 A 290 CYS C . - A 291 PHE N . mod.= 1.452 id.= 1.337 dev= -0.115 sig.= 0.011 A 291 PHE N . - A 291 PHE CA . mod.= 1.313 id.= 1.487 dev= 0.174 sig.= 0.010 A 291 PHE CA . - A 291 PHE CB . mod.= 1.084 id.= 1.531 dev= 0.447 sig.= 0.010 A 291 PHE CG . - A 291 PHE CD1 . mod.= 1.202 id.= 1.385 dev= 0.183 sig.= 0.011 A 291 PHE CG . - A 291 PHE CD2 . mod.= 1.946 id.= 1.385 dev= -0.561 sig.= 0.011 A 291 PHE CE1 . - A 291 PHE CZ . mod.= 1.210 id.= 1.376 dev= 0.166 sig.= 0.012 A 291 PHE CZ . - A 291 PHE CE2 . mod.= 1.896 id.= 1.376 dev= -0.520 sig.= 0.012 A 291 PHE CD2 . - A 291 PHE CE2 . mod.= 1.556 id.= 1.386 dev= -0.170 sig.= 0.010 A 291 PHE C . - A 291 PHE O . mod.= 1.468 id.= 1.247 dev= -0.221 sig.= 0.019 A 292 GLY N . - A 292 GLY CA . mod.= 1.359 id.= 1.476 dev= 0.117 sig.= 0.010 A 292 GLY CA . - A 292 GLY C . mod.= 1.856 id.= 1.519 dev= -0.337 sig.= 0.012 A 293 GLY N . - A 293 GLY CA . mod.= 1.116 id.= 1.476 dev= 0.360 sig.= 0.010 A 293 GLY C . - A 294 ILE N . mod.= 1.562 id.= 1.337 dev= -0.225 sig.= 0.011 A 294 ILE N . - A 294 ILE CA . mod.= 1.315 id.= 1.494 dev= 0.179 sig.= 0.010 A 294 ILE CB . - A 294 ILE CG2 . mod.= 1.361 id.= 1.521 dev= 0.160 sig.= 0.014 A 294 ILE CG1 . - A 294 ILE CD1 . mod.= 1.765 id.= 1.511 dev= -0.254 sig.= 0.020 A 295 GLN CA . - A 295 GLN CB . mod.= 1.257 id.= 1.530 dev= 0.273 sig.= 0.011 A 295 GLN CB . - A 295 GLN CG . mod.= 1.674 id.= 1.522 dev= -0.152 sig.= 0.013 A 295 GLN CG . - A 295 GLN CD . mod.= 1.689 id.= 1.509 dev= -0.180 sig.= 0.010 A 295 GLN CD . - A 295 GLN OE1 . mod.= 1.012 id.= 1.229 dev= 0.217 sig.= 0.012 A 295 GLN CD . - A 295 GLN NE2 . mod.= 1.790 id.= 1.323 dev= -0.467 sig.= 0.011 A 295 GLN C . - A 295 GLN O . mod.= 1.738 id.= 1.247 dev= -0.491 sig.= 0.019 A 295 GLN C . - A 296 SER N . mod.= 1.146 id.= 1.337 dev= 0.191 sig.= 0.011 A 296 SER CA . - A 296 SER CB . mod.= 1.689 id.= 1.507 dev= -0.182 sig.= 0.018 A 296 SER CA . - A 296 SER C . mod.= 1.688 id.= 1.533 dev= -0.155 sig.= 0.011 A 296 SER CB . - A 296 SER OG . mod.= 1.222 id.= 1.420 dev= 0.198 sig.= 0.014 A 297 SER CB . - A 297 SER OG . mod.= 1.258 id.= 1.420 dev= 0.162 sig.= 0.014 A 297 SER C . - A 298 ALA N B mod.= 1.175 id.= 1.337 dev= 0.162 sig.= 0.011 A 298 ALA CA A - A 298 ALA CB A mod.= 1.662 id.= 1.509 dev= -0.153 sig.= 0.014 A 298 ALA CA A - A 298 ALA C A mod.= 1.766 id.= 1.533 dev= -0.233 sig.= 0.011 A 298 ALA CA B - A 298 ALA C B mod.= 1.885 id.= 1.533 dev= -0.352 sig.= 0.011 A 298 ALA C A - A 298 ALA O A mod.= 0.975 id.= 1.247 dev= 0.272 sig.= 0.019 A 298 ALA C B - A 298 ALA O B mod.= 1.554 id.= 1.247 dev= -0.307 sig.= 0.019 A 298 ALA C B - A 299 GLY N B mod.= 0.980 id.= 1.337 dev= 0.357 sig.= 0.011 A 299 GLY N A - A 299 GLY CA A mod.= 1.670 id.= 1.476 dev= -0.194 sig.= 0.010 A 299 GLY N B - A 299 GLY CA B mod.= 1.688 id.= 1.476 dev= -0.212 sig.= 0.010 A 299 GLY CA A - A 299 GLY C A mod.= 1.331 id.= 1.519 dev= 0.188 sig.= 0.012 A 299 GLY CA B - A 299 GLY C B mod.= 1.258 id.= 1.519 dev= 0.261 sig.= 0.012 A 299 GLY C B - A 300 ILE N . mod.= 1.461 id.= 1.337 dev= -0.124 sig.= 0.011 A 300 ILE CA . - A 300 ILE CB . mod.= 1.699 id.= 1.542 dev= -0.157 sig.= 0.011 A 300 ILE CB . - A 300 ILE CG2 . mod.= 1.879 id.= 1.521 dev= -0.358 sig.= 0.014 A 300 ILE C . - A 300 ILE O . mod.= 1.597 id.= 1.247 dev= -0.350 sig.= 0.019 A 300 ILE C . - A 301 GLY N . mod.= 1.202 id.= 1.337 dev= 0.135 sig.= 0.011 A 301 GLY N . - A 301 GLY CA . mod.= 1.344 id.= 1.476 dev= 0.132 sig.= 0.010 A 302 ILE N . - A 302 ILE CA . mod.= 1.233 id.= 1.494 dev= 0.261 sig.= 0.010 A 302 ILE CA . - A 302 ILE C . mod.= 1.647 id.= 1.533 dev= -0.114 sig.= 0.011 A 302 ILE CB . - A 302 ILE CG1 . mod.= 1.674 id.= 1.531 dev= -0.143 sig.= 0.010 A 302 ILE CB . - A 302 ILE CG2 . mod.= 1.076 id.= 1.521 dev= 0.445 sig.= 0.014 A 302 ILE CG1 . - A 302 ILE CD1 . mod.= 1.201 id.= 1.511 dev= 0.310 sig.= 0.020 A 302 ILE C . - A 303 ASN N . mod.= 1.452 id.= 1.337 dev= -0.115 sig.= 0.011 A 303 ASN CA . - A 303 ASN C . mod.= 1.233 id.= 1.533 dev= 0.300 sig.= 0.011 A 303 ASN CB . - A 303 ASN CG . mod.= 1.268 id.= 1.514 dev= 0.246 sig.= 0.010 A 303 ASN CG . - A 303 ASN OD1 . mod.= 1.367 id.= 1.229 dev= -0.138 sig.= 0.012 A 303 ASN C . - A 303 ASN O . mod.= 1.459 id.= 1.247 dev= -0.212 sig.= 0.019 A 304 ILE N . - A 304 ILE CA . mod.= 1.326 id.= 1.494 dev= 0.168 sig.= 0.010 A 304 ILE CA . - A 304 ILE CB . mod.= 1.672 id.= 1.542 dev= -0.130 sig.= 0.011 A 304 ILE CB . - A 304 ILE CG1 . mod.= 1.752 id.= 1.531 dev= -0.221 sig.= 0.010 A 304 ILE CB . - A 304 ILE CG2 . mod.= 1.681 id.= 1.521 dev= -0.160 sig.= 0.014 A 304 ILE C . - A 304 ILE O . mod.= 1.017 id.= 1.247 dev= 0.230 sig.= 0.019 A 304 ILE C . - A 305 PHE N . mod.= 1.708 id.= 1.337 dev= -0.371 sig.= 0.011 A 305 PHE CA . - A 305 PHE CB . mod.= 1.815 id.= 1.531 dev= -0.284 sig.= 0.010 A 305 PHE CB . - A 305 PHE CG . mod.= 1.078 id.= 1.508 dev= 0.430 sig.= 0.010 A 305 PHE CD1 . - A 305 PHE CE1 . mod.= 1.576 id.= 1.386 dev= -0.190 sig.= 0.010 A 305 PHE CE1 . - A 305 PHE CZ . mod.= 1.522 id.= 1.376 dev= -0.146 sig.= 0.012 A 305 PHE CD2 . - A 305 PHE CE2 . mod.= 1.609 id.= 1.386 dev= -0.223 sig.= 0.010 A 305 PHE C . - A 305 PHE O . mod.= 0.888 id.= 1.247 dev= 0.359 sig.= 0.019 A 306 GLY C . - A 307 ASP N . mod.= 1.642 id.= 1.337 dev= -0.305 sig.= 0.011 A 307 ASP CA . - A 307 ASP CB . mod.= 1.050 id.= 1.531 dev= 0.481 sig.= 0.011 A 307 ASP CA . - A 307 ASP C . mod.= 1.712 id.= 1.533 dev= -0.179 sig.= 0.011 A 307 ASP CG . - A 307 ASP OD1 . mod.= 1.765 id.= 1.247 dev= -0.518 sig.= 0.019 A 307 ASP C . - A 308 VAL N . mod.= 1.663 id.= 1.337 dev= -0.326 sig.= 0.011 A 308 VAL N . - A 308 VAL CA . mod.= 1.308 id.= 1.494 dev= 0.186 sig.= 0.010 A 308 VAL CA . - A 308 VAL CB . mod.= 1.751 id.= 1.541 dev= -0.210 sig.= 0.010 A 308 VAL CA . - A 308 VAL C . mod.= 1.656 id.= 1.533 dev= -0.123 sig.= 0.011 A 308 VAL CB . - A 308 VAL CG1 . mod.= 1.184 id.= 1.521 dev= 0.337 sig.= 0.014 A 308 VAL C . - A 308 VAL O . mod.= 1.473 id.= 1.247 dev= -0.226 sig.= 0.019 A 308 VAL C . - A 309 ALA N . mod.= 1.053 id.= 1.337 dev= 0.284 sig.= 0.011 A 309 ALA N . - A 309 ALA CA . mod.= 1.740 id.= 1.482 dev= -0.258 sig.= 0.010 A 309 ALA CA . - A 309 ALA CB . mod.= 1.276 id.= 1.509 dev= 0.233 sig.= 0.014 A 309 ALA CA . - A 309 ALA C . mod.= 1.404 id.= 1.533 dev= 0.129 sig.= 0.011 A 309 ALA C . - A 310 LEU N . mod.= 1.616 id.= 1.337 dev= -0.279 sig.= 0.011 A 310 LEU N . - A 310 LEU CA . mod.= 1.223 id.= 1.488 dev= 0.265 sig.= 0.011 A 310 LEU CA . - A 310 LEU CB . mod.= 1.362 id.= 1.532 dev= 0.170 sig.= 0.010 A 310 LEU CB . - A 310 LEU CG . mod.= 1.384 id.= 1.528 dev= 0.144 sig.= 0.011 A 310 LEU CG . - A 310 LEU CD1 . mod.= 1.958 id.= 1.521 dev= -0.437 sig.= 0.015 A 310 LEU CG . - A 310 LEU CD2 . mod.= 1.283 id.= 1.521 dev= 0.238 sig.= 0.015 A 310 LEU C . - A 311 LYS N A mod.= 1.019 id.= 1.337 dev= 0.318 sig.= 0.011 A 310 LEU C . - A 311 LYS N B mod.= 1.056 id.= 1.337 dev= 0.281 sig.= 0.011 A 311 LYS N A - A 311 LYS CA A mod.= 1.724 id.= 1.488 dev= -0.236 sig.= 0.011 A 311 LYS CA A - A 311 LYS CB A mod.= 1.285 id.= 1.532 dev= 0.247 sig.= 0.010 A 311 LYS CA B - A 311 LYS C B mod.= 1.695 id.= 1.533 dev= -0.162 sig.= 0.011 A 311 LYS CB B - A 311 LYS CG B mod.= 0.966 id.= 1.523 dev= 0.557 sig.= 0.012 A 311 LYS CG A - A 311 LYS CD A mod.= 1.815 id.= 1.514 dev= -0.301 sig.= 0.020 A 311 LYS CD A - A 311 LYS CE A mod.= 1.712 id.= 1.514 dev= -0.198 sig.= 0.012 A 311 LYS CD B - A 311 LYS CE B mod.= 1.326 id.= 1.514 dev= 0.188 sig.= 0.012 A 311 LYS CE A - A 311 LYS NZ A mod.= 1.708 id.= 1.482 dev= -0.226 sig.= 0.012 A 311 LYS CE B - A 311 LYS NZ B mod.= 1.701 id.= 1.482 dev= -0.219 sig.= 0.012 A 311 LYS C A - A 311 LYS O A mod.= 1.500 id.= 1.247 dev= -0.253 sig.= 0.019 A 311 LYS C B - A 311 LYS O B mod.= 1.697 id.= 1.247 dev= -0.450 sig.= 0.019 A 311 LYS C B - A 312 ALA N . mod.= 1.125 id.= 1.337 dev= 0.212 sig.= 0.011 A 312 ALA N . - A 312 ALA CA . mod.= 1.168 id.= 1.482 dev= 0.314 sig.= 0.010 A 312 ALA CA . - A 312 ALA C . mod.= 1.860 id.= 1.533 dev= -0.327 sig.= 0.011 A 312 ALA C . - A 312 ALA O . mod.= 0.959 id.= 1.247 dev= 0.288 sig.= 0.019 A 312 ALA C . - A 313 ALA N . mod.= 1.570 id.= 1.337 dev= -0.233 sig.= 0.011 A 313 ALA N . - A 313 ALA CA . mod.= 1.861 id.= 1.482 dev= -0.379 sig.= 0.010 A 313 ALA C . - A 314 PHE N . mod.= 1.101 id.= 1.337 dev= 0.236 sig.= 0.011 A 314 PHE N . - A 314 PHE CA . mod.= 1.657 id.= 1.487 dev= -0.170 sig.= 0.010 A 314 PHE CA . - A 314 PHE CB . mod.= 1.032 id.= 1.531 dev= 0.499 sig.= 0.010 A 314 PHE CA . - A 314 PHE C . mod.= 1.416 id.= 1.533 dev= 0.117 sig.= 0.011 A 314 PHE CB . - A 314 PHE CG . mod.= 1.750 id.= 1.508 dev= -0.242 sig.= 0.010 A 314 PHE CG . - A 314 PHE CD1 . mod.= 1.784 id.= 1.385 dev= -0.399 sig.= 0.011 A 314 PHE CG . - A 314 PHE CD2 . mod.= 0.982 id.= 1.385 dev= 0.403 sig.= 0.011 A 314 PHE CD1 . - A 314 PHE CE1 . mod.= 1.005 id.= 1.386 dev= 0.381 sig.= 0.010 A 314 PHE CE1 . - A 314 PHE CZ . mod.= 1.546 id.= 1.376 dev= -0.170 sig.= 0.012 A 314 PHE CD2 . - A 314 PHE CE2 . mod.= 1.503 id.= 1.386 dev= -0.117 sig.= 0.010 A 314 PHE C . - A 315 VAL N . mod.= 1.469 id.= 1.337 dev= -0.132 sig.= 0.011 A 315 VAL N . - A 315 VAL CA . mod.= 1.631 id.= 1.494 dev= -0.137 sig.= 0.010 A 315 VAL CA . - A 315 VAL C . mod.= 1.750 id.= 1.533 dev= -0.217 sig.= 0.011 A 315 VAL CB . - A 315 VAL CG1 . mod.= 1.320 id.= 1.521 dev= 0.201 sig.= 0.014 A 315 VAL CB . - A 315 VAL CG2 . mod.= 1.285 id.= 1.521 dev= 0.236 sig.= 0.014 A 316 VAL N . - A 316 VAL CA . mod.= 1.356 id.= 1.494 dev= 0.138 sig.= 0.010 A 316 VAL CA . - A 316 VAL C . mod.= 1.827 id.= 1.533 dev= -0.294 sig.= 0.011 A 316 VAL CB . - A 316 VAL CG1 . mod.= 1.350 id.= 1.521 dev= 0.171 sig.= 0.014 A 316 VAL C . - A 316 VAL O . mod.= 0.956 id.= 1.247 dev= 0.291 sig.= 0.019 A 317 PHE N . - A 317 PHE CA . mod.= 1.315 id.= 1.487 dev= 0.172 sig.= 0.010 A 317 PHE CA . - A 317 PHE CB . mod.= 1.645 id.= 1.531 dev= -0.114 sig.= 0.010 A 317 PHE CA . - A 317 PHE C . mod.= 1.730 id.= 1.533 dev= -0.197 sig.= 0.011 A 317 PHE CG . - A 317 PHE CD1 . mod.= 1.745 id.= 1.385 dev= -0.360 sig.= 0.011 A 317 PHE CG . - A 317 PHE CD2 . mod.= 1.196 id.= 1.385 dev= 0.189 sig.= 0.011 A 317 PHE CZ . - A 317 PHE CE2 . mod.= 1.556 id.= 1.376 dev= -0.180 sig.= 0.012 A 318 ASN N . - A 318 ASN CA . mod.= 1.349 id.= 1.488 dev= 0.139 sig.= 0.010 A 318 ASN CA . - A 318 ASN C . mod.= 1.678 id.= 1.533 dev= -0.145 sig.= 0.011 A 318 ASN CB . - A 318 ASN CG . mod.= 1.958 id.= 1.514 dev= -0.444 sig.= 0.010 A 318 ASN CG . - A 318 ASN OD1 . mod.= 0.938 id.= 1.229 dev= 0.291 sig.= 0.012 A 318 ASN C . - A 319 GLY N . mod.= 1.632 id.= 1.337 dev= -0.295 sig.= 0.011 A 319 GLY N . - A 319 GLY CA . mod.= 1.288 id.= 1.476 dev= 0.188 sig.= 0.010 A 319 GLY C . - A 320 ALA N . mod.= 1.202 id.= 1.337 dev= 0.135 sig.= 0.011 A 320 ALA C . - A 321 THR N . mod.= 1.523 id.= 1.337 dev= -0.186 sig.= 0.011 A 321 THR CA . - A 321 THR CB . mod.= 1.362 id.= 1.534 dev= 0.172 sig.= 0.010 A 321 THR CA . - A 321 THR C . mod.= 1.394 id.= 1.533 dev= 0.139 sig.= 0.011 A 321 THR CB . - A 321 THR CG2 . mod.= 1.159 id.= 1.513 dev= 0.354 sig.= 0.010 A 321 THR C . - A 321 THR O . mod.= 1.036 id.= 1.247 dev= 0.211 sig.= 0.019 A 321 THR C . - A 322 THR N . mod.= 1.147 id.= 1.337 dev= 0.190 sig.= 0.011 A 322 THR CA . - A 322 THR CB . mod.= 1.145 id.= 1.534 dev= 0.389 sig.= 0.010 A 322 THR CA . - A 322 THR C . mod.= 1.701 id.= 1.526 dev= -0.175 sig.= 0.010 A 322 THR CB . - A 322 THR OG1 . mod.= 1.298 id.= 1.428 dev= 0.130 sig.= 0.010 A 322 THR C . - A 322 THR O . mod.= 1.022 id.= 1.229 dev= 0.207 sig.= 0.012 A 323 PRO N . - A 323 PRO CA A mod.= 1.574 id.= 1.464 dev= -0.110 sig.= 0.010 A 323 PRO N . - A 323 PRO CD B mod.= 1.340 id.= 1.473 dev= 0.133 sig.= 0.011 A 323 PRO CA A - A 323 PRO C . mod.= 1.939 id.= 1.536 dev= -0.403 sig.= 0.010 A 323 PRO CA B - A 323 PRO C . mod.= 1.790 id.= 1.536 dev= -0.254 sig.= 0.010 A 323 PRO CB B - A 323 PRO CG B mod.= 1.768 id.= 1.508 dev= -0.260 sig.= 0.020 A 323 PRO C . - A 323 PRO O . mod.= 1.421 id.= 1.218 dev= -0.203 sig.= 0.020 A 323 PRO C . - A 324 THR N . mod.= 0.962 id.= 1.337 dev= 0.375 sig.= 0.011 A 324 THR N . - A 324 THR CA . mod.= 1.376 id.= 1.488 dev= 0.112 sig.= 0.011 A 324 THR CA . - A 324 THR CB . mod.= 1.842 id.= 1.534 dev= -0.308 sig.= 0.010 A 324 THR CA . - A 324 THR C . mod.= 1.678 id.= 1.533 dev= -0.145 sig.= 0.011 A 324 THR CB . - A 324 THR CG2 . mod.= 1.652 id.= 1.513 dev= -0.139 sig.= 0.010 A 325 LEU N . - A 325 LEU CA B mod.= 1.326 id.= 1.488 dev= 0.162 sig.= 0.011 A 325 LEU CA A - A 325 LEU CB A mod.= 1.352 id.= 1.532 dev= 0.180 sig.= 0.010 A 325 LEU CA A - A 325 LEU C . mod.= 1.842 id.= 1.533 dev= -0.309 sig.= 0.011 A 325 LEU CA B - A 325 LEU CB B mod.= 1.131 id.= 1.532 dev= 0.401 sig.= 0.010 A 325 LEU CA B - A 325 LEU C . mod.= 1.933 id.= 1.533 dev= -0.400 sig.= 0.011 A 325 LEU CG A - A 325 LEU CD1 A mod.= 1.934 id.= 1.521 dev= -0.413 sig.= 0.015 A 325 LEU CG A - A 325 LEU CD2 A mod.= 1.347 id.= 1.521 dev= 0.174 sig.= 0.015 A 325 LEU CG B - A 325 LEU CD1 B mod.= 1.771 id.= 1.521 dev= -0.250 sig.= 0.015 A 325 LEU CG B - A 325 LEU CD2 B mod.= 1.879 id.= 1.521 dev= -0.358 sig.= 0.015 A 325 LEU C . - A 325 LEU O . mod.= 0.940 id.= 1.247 dev= 0.307 sig.= 0.019 A 326 GLY CA . - A 326 GLY C . mod.= 1.399 id.= 1.519 dev= 0.120 sig.= 0.012 A 327 PHE N . - A 327 PHE CA . mod.= 1.744 id.= 1.487 dev= -0.257 sig.= 0.010 A 327 PHE CA . - A 327 PHE CB . mod.= 1.221 id.= 1.531 dev= 0.310 sig.= 0.010 A 327 PHE CB . - A 327 PHE CG . mod.= 1.892 id.= 1.508 dev= -0.384 sig.= 0.010 A 327 PHE CG . - A 327 PHE CD1 . mod.= 1.077 id.= 1.385 dev= 0.308 sig.= 0.011 A 327 PHE CG . - A 327 PHE CD2 . mod.= 1.093 id.= 1.385 dev= 0.292 sig.= 0.011 A 327 PHE CE1 . - A 327 PHE CZ . mod.= 1.516 id.= 1.376 dev= -0.140 sig.= 0.012 A 327 PHE CZ . - A 327 PHE CE2 . mod.= 1.175 id.= 1.376 dev= 0.201 sig.= 0.012 A 327 PHE CD2 . - A 327 PHE CE2 . mod.= 1.530 id.= 1.386 dev= -0.144 sig.= 0.010 A 327 PHE C . - A 328 ALA N . mod.= 1.734 id.= 1.337 dev= -0.397 sig.= 0.011 A 328 ALA N . - A 328 ALA CA . mod.= 1.119 id.= 1.482 dev= 0.363 sig.= 0.010 A 328 ALA CA . - A 328 ALA CB . mod.= 1.298 id.= 1.509 dev= 0.211 sig.= 0.014 A 329 SER N B - A 329 SER CA B mod.= 1.680 id.= 1.487 dev= -0.193 sig.= 0.010 A 329 SER CA A - A 329 SER C A mod.= 1.159 id.= 1.533 dev= 0.374 sig.= 0.011 A 329 SER CB A - A 329 SER OG A mod.= 1.565 id.= 1.420 dev= -0.145 sig.= 0.014 A 329 SER C A - A 330 LYS N . mod.= 1.613 id.= 1.337 dev= -0.276 sig.= 0.011 A 329 SER C B - A 330 LYS N . mod.= 1.611 id.= 1.337 dev= -0.274 sig.= 0.011 A 330 LYS CA . - A 330 LYS C . mod.= 1.742 id.= 1.533 dev= -0.209 sig.= 0.011 A 330 LYS CD . - A 330 LYS CE . mod.= 1.367 id.= 1.514 dev= 0.147 sig.= 0.012 A 330 LYS CE . - A 330 LYS NZ . mod.= 1.335 id.= 1.482 dev= 0.147 sig.= 0.012 A 330 LYS C . - A 330 LYS O . mod.= 1.574 id.= 1.231 dev= -0.343 sig.= 0.020 A 330 LYS C . - A 330 LYS OXT . mod.= 0.982 id.= 1.231 dev= 0.249 sig.= 0.020 **** Bond angle outliers **** Bond angle deviations from the ideal >10.000Sigma will be monitored A 1 SER HA B - A 1 SER CB B mod.= 91.47 id.= 108.52 dev= 17.052 sig.= 1.500 A 1 SER CB B - A 1 SER C mod.= 133.24 id.= 111.38 dev=-21.863 sig.= 1.500 A 2 THR CA - A 3 GLY N mod.= 132.78 id.= 115.92 dev=-16.866 sig.= 1.500 A 2 THR HB - A 2 THR OG1 mod.= 93.00 id.= 108.88 dev= 15.876 sig.= 1.500 A 3 GLY N - A 3 GLY C mod.= 93.39 id.= 111.72 dev= 18.328 sig.= 1.500 A 3 GLY CA - A 3 GLY O mod.= 147.60 id.= 117.07 dev=-30.530 sig.= 1.500 A 3 GLY CA - A 4 SER N mod.= 91.39 id.= 115.92 dev= 24.531 sig.= 1.500 A 4 SER N - A 4 SER CB mod.= 126.00 id.= 110.99 dev=-15.014 sig.= 1.500 A 4 SER CA - A 5 ALA N mod.= 150.90 id.= 115.92 dev=-34.979 sig.= 1.500 A 4 SER HA - A 4 SER CB mod.= 80.51 id.= 108.52 dev= 28.012 sig.= 1.500 A 4 SER C - A 5 ALA H mod.= 86.08 id.= 119.18 dev= 33.100 sig.= 1.830 A 4 SER C - A 5 ALA CA mod.= 154.74 id.= 122.10 dev=-32.648 sig.= 1.760 A 4 SER O - A 5 ALA N mod.= 103.38 id.= 123.47 dev= 20.093 sig.= 1.500 A 5 ALA HA - A 5 ALA CB mod.= 84.52 id.= 108.88 dev= 24.357 sig.= 1.500 A 6 THR CA - A 6 THR CG2 mod.= 133.55 id.= 112.91 dev=-20.638 sig.= 1.500 A 7 THR CA - A 7 THR CG2 mod.= 142.82 id.= 112.91 dev=-29.908 sig.= 1.500 A 7 THR CA - A 8 THR N mod.= 136.32 id.= 115.92 dev=-20.404 sig.= 1.500 A 7 THR HB - A 7 THR CG2 mod.= 92.38 id.= 108.80 dev= 16.423 sig.= 1.500 A 8 THR HB - A 8 THR OG1 mod.= 125.84 id.= 108.88 dev=-16.962 sig.= 1.500 A 8 THR C - A 9 PRO CA mod.= 140.55 id.= 120.47 dev=-20.079 sig.= 1.500 A 8 THR O - A 9 PRO N mod.= 98.77 id.= 121.02 dev= 22.244 sig.= 1.530 A 9 PRO N - A 9 PRO C mod.= 84.32 id.= 111.42 dev= 27.096 sig.= 2.450 A 9 PRO CA - A 9 PRO O mod.= 150.04 id.= 117.01 dev=-33.025 sig.= 1.950 A 9 PRO O - A 10 ILE N mod.= 105.48 id.= 123.47 dev= 17.990 sig.= 1.500 A 10 ILE N - A 10 ILE C mod.= 139.58 id.= 108.76 dev=-30.814 sig.= 1.500 A 10 ILE CA - A 11 ASP N mod.= 95.25 id.= 115.92 dev= 20.670 sig.= 1.500 A 10 ILE HA - A 10 ILE C mod.= 92.70 id.= 108.54 dev= 15.842 sig.= 1.500 A 10 ILE CB - A 10 ILE C mod.= 96.69 id.= 111.76 dev= 15.078 sig.= 1.500 A 10 ILE HB - A 10 ILE CG1 mod.= 132.34 id.= 107.40 dev=-24.937 sig.= 1.500 A 10 ILE C - A 11 ASP CA mod.= 103.87 id.= 122.10 dev= 18.225 sig.= 1.760 A 11 ASP N - A 11 ASP CB mod.= 132.07 id.= 111.34 dev=-20.736 sig.= 1.500 A 11 ASP CA - A 11 ASP CG mod.= 91.88 id.= 113.40 dev= 21.519 sig.= 1.640 A 11 ASP HA - A 11 ASP CB mod.= 71.52 id.= 108.67 dev= 37.149 sig.= 1.690 A 12 SER N - A 12 SER CB mod.= 129.81 id.= 110.99 dev=-18.824 sig.= 1.500 A 14 ASP CA - A 15 ASP N mod.= 145.96 id.= 115.92 dev=-30.039 sig.= 1.500 A 14 ASP C - A 15 ASP H mod.= 76.95 id.= 119.18 dev= 42.221 sig.= 1.830 A 14 ASP C - A 15 ASP CA mod.= 163.89 id.= 122.10 dev=-41.795 sig.= 1.760 A 14 ASP O - A 15 ASP N mod.= 89.89 id.= 123.47 dev= 33.583 sig.= 1.500 A 15 ASP CA - A 15 ASP O mod.= 138.85 id.= 117.12 dev=-21.729 sig.= 1.500 A 15 ASP HA - A 15 ASP CB mod.= 85.76 id.= 108.67 dev= 22.908 sig.= 1.690 A 15 ASP O - A 16 ALA N mod.= 107.64 id.= 123.47 dev= 15.833 sig.= 1.500 A 17 TYR CA - A 18 ILE N mod.= 154.28 id.= 115.92 dev=-38.365 sig.= 1.500 A 17 TYR HA - A 17 TYR CB mod.= 90.99 id.= 108.69 dev= 17.704 sig.= 1.500 A 17 TYR CB - A 17 TYR CD2 mod.= 102.49 id.= 121.08 dev= 18.588 sig.= 1.500 A 17 TYR CE1 - A 17 TYR CE2 mod.= 136.31 id.= 119.57 dev=-16.742 sig.= 1.500 A 17 TYR CZ - A 17 TYR CD2 mod.= 103.95 id.= 119.82 dev= 15.874 sig.= 1.500 A 17 TYR HE2 - A 17 TYR CD2 mod.= 136.04 id.= 120.17 dev=-15.869 sig.= 1.500 A 17 TYR C - A 18 ILE H mod.= 78.08 id.= 119.18 dev= 41.092 sig.= 1.830 A 17 TYR C - A 18 ILE CA mod.= 162.72 id.= 122.10 dev=-40.622 sig.= 1.760 A 17 TYR O - A 18 ILE N mod.= 100.53 id.= 123.47 dev= 22.942 sig.= 1.500 A 18 ILE N - A 18 ILE CB mod.= 128.14 id.= 110.82 dev=-17.316 sig.= 1.500 A 18 ILE CA - A 18 ILE CG1 mod.= 95.17 id.= 111.76 dev= 16.590 sig.= 1.500 A 18 ILE CA - A 18 ILE CG2 mod.= 95.10 id.= 110.78 dev= 15.685 sig.= 1.500 A 18 ILE HA - A 18 ILE CB mod.= 92.39 id.= 108.38 dev= 15.995 sig.= 1.500 A 18 ILE CG1 - A 18 ILE CG2 mod.= 127.12 id.= 111.78 dev=-15.348 sig.= 1.500 A 19 THR N - A 19 THR C mod.= 124.60 id.= 109.41 dev=-15.188 sig.= 1.500 A 19 THR O - A 20 PRO N mod.= 92.79 id.= 121.02 dev= 28.229 sig.= 1.530 A 20 PRO CA - A 20 PRO CG mod.= 82.32 id.= 103.51 dev= 21.184 sig.= 1.500 A 20 PRO HA - A 20 PRO CB mod.= 83.65 id.= 109.39 dev= 25.734 sig.= 1.500 A 21 VAL N - A 21 VAL C mod.= 84.10 id.= 108.76 dev= 24.662 sig.= 1.500 A 21 VAL O - A 22 GLN N mod.= 103.31 id.= 123.47 dev= 20.155 sig.= 1.500 A 23 ILE N - A 23 ILE C mod.= 90.58 id.= 108.76 dev= 18.180 sig.= 1.500 A 23 ILE CA - A 23 ILE CG2 mod.= 81.37 id.= 110.78 dev= 29.413 sig.= 1.500 A 23 ILE CB - A 23 ILE C mod.= 129.72 id.= 111.76 dev=-17.958 sig.= 1.500 A 23 ILE C - A 24 GLY H mod.= 93.06 id.= 119.18 dev= 26.118 sig.= 1.830 A 23 ILE C - A 24 GLY CA mod.= 147.75 id.= 122.10 dev=-25.654 sig.= 1.760 A 24 GLY C - A 25 THR H mod.= 99.88 id.= 119.18 dev= 19.293 sig.= 1.830 A 24 GLY C - A 25 THR CA mod.= 140.93 id.= 122.10 dev=-18.834 sig.= 1.760 A 25 THR N - A 25 THR C mod.= 132.10 id.= 109.41 dev=-22.691 sig.= 1.500 A 25 THR O - A 26 PRO N mod.= 105.29 id.= 121.02 dev= 15.726 sig.= 1.530 A 28 GLN N - A 28 GLN CB mod.= 91.62 id.= 110.37 dev= 18.752 sig.= 1.620 A 30 LEU N - A 30 LEU C mod.= 93.54 id.= 109.24 dev= 15.702 sig.= 1.500 A 30 LEU CA - A 31 ASN N mod.= 97.67 id.= 115.92 dev= 18.252 sig.= 1.500 A 30 LEU HA - A 30 LEU CB mod.= 124.67 id.= 109.55 dev=-15.119 sig.= 1.500 A 30 LEU O - A 31 ASN N mod.= 140.33 id.= 123.47 dev=-16.858 sig.= 1.500 A 31 ASN CA - A 31 ASN CG mod.= 93.63 id.= 112.98 dev= 19.355 sig.= 1.500 A 31 ASN CB - A 31 ASN OD1 mod.= 147.62 id.= 120.61 dev=-27.004 sig.= 1.500 A 31 ASN OD1 - A 31 ASN ND2 mod.= 95.45 id.= 122.57 dev= 27.114 sig.= 1.500 A 32 LEU HA - A 32 LEU CB mod.= 132.18 id.= 109.55 dev=-22.635 sig.= 1.500 A 32 LEU CB - A 32 LEU C mod.= 92.61 id.= 111.07 dev= 18.466 sig.= 1.500 A 32 LEU CB - A 32 LEU CD1 mod.= 85.64 id.= 110.88 dev= 25.245 sig.= 1.500 A 32 LEU HG - A 32 LEU CD1 mod.= 126.50 id.= 108.05 dev=-18.450 sig.= 1.500 A 32 LEU C - A 33 ASP H mod.= 141.30 id.= 119.18 dev=-22.126 sig.= 1.830 A 32 LEU C - A 33 ASP CA mod.= 99.51 id.= 122.10 dev= 22.584 sig.= 1.760 A 33 ASP N - A 33 ASP CB mod.= 77.50 id.= 111.34 dev= 33.833 sig.= 1.500 A 33 ASP CA - A 33 ASP O mod.= 148.18 id.= 117.12 dev=-31.059 sig.= 1.500 A 33 ASP HA - A 33 ASP CB mod.= 144.40 id.= 108.67 dev=-35.738 sig.= 1.690 A 33 ASP CB - A 33 ASP OD2 mod.= 102.54 id.= 117.99 dev= 15.449 sig.= 1.500 A 33 ASP OD1 - A 33 ASP OD2 mod.= 140.29 id.= 124.03 dev=-16.258 sig.= 1.500 A 33 ASP C - A 34 PHE H mod.= 137.60 id.= 119.18 dev=-18.424 sig.= 1.830 A 33 ASP C - A 34 PHE CA mod.= 103.24 id.= 122.10 dev= 18.857 sig.= 1.760 A 33 ASP O - A 34 PHE N mod.= 105.05 id.= 123.47 dev= 18.423 sig.= 1.500 A 34 PHE N - A 34 PHE CB mod.= 88.42 id.= 110.49 dev= 22.075 sig.= 1.500 A 34 PHE N - A 34 PHE C mod.= 124.73 id.= 109.45 dev=-15.282 sig.= 1.500 A 34 PHE CA - A 34 PHE CG mod.= 131.94 id.= 114.75 dev=-17.197 sig.= 1.550 A 34 PHE HA - A 34 PHE CB mod.= 143.88 id.= 108.69 dev=-35.194 sig.= 1.500 A 34 PHE CB - A 34 PHE CD1 mod.= 101.77 id.= 120.97 dev= 19.195 sig.= 1.500 A 34 PHE CB - A 34 PHE CD2 mod.= 139.32 id.= 120.97 dev=-18.353 sig.= 1.500 A 34 PHE CD1 - A 34 PHE CZ mod.= 97.91 id.= 120.32 dev= 22.411 sig.= 1.500 A 34 PHE CE1 - A 34 PHE CE2 mod.= 154.94 id.= 120.04 dev=-34.897 sig.= 1.500 A 34 PHE HE1 - A 34 PHE CZ mod.= 142.26 id.= 119.88 dev=-22.377 sig.= 1.500 A 34 PHE CZ - A 34 PHE CD2 mod.= 97.60 id.= 120.32 dev= 22.729 sig.= 1.500 A 34 PHE HZ - A 34 PHE CE2 mod.= 85.02 id.= 119.98 dev= 34.955 sig.= 1.500 A 34 PHE CD2 - A 34 PHE HE2 mod.= 142.53 id.= 119.79 dev=-22.739 sig.= 1.500 A 35 ASP N - A 35 ASP CB mod.= 94.72 id.= 111.34 dev= 16.619 sig.= 1.500 A 36 THR CA - A 36 THR O mod.= 134.23 id.= 117.00 dev=-17.226 sig.= 1.500 A 36 THR CA - A 37 GLY N mod.= 100.04 id.= 115.92 dev= 15.877 sig.= 1.500 A 36 THR HA - A 36 THR CB mod.= 91.92 id.= 108.62 dev= 16.695 sig.= 1.500 A 37 GLY N - A 37 GLY C mod.= 132.20 id.= 111.72 dev=-20.473 sig.= 1.500 A 37 GLY CA - A 38 SER N mod.= 86.73 id.= 115.92 dev= 29.187 sig.= 1.500 A 37 GLY C - A 38 SER H mod.= 148.81 id.= 119.18 dev=-29.632 sig.= 1.830 A 37 GLY C - A 38 SER CA mod.= 92.00 id.= 122.10 dev= 30.091 sig.= 1.760 A 37 GLY O - A 38 SER N mod.= 143.59 id.= 123.47 dev=-20.123 sig.= 1.500 A 38 SER CA - A 38 SER OG mod.= 87.98 id.= 110.82 dev= 22.844 sig.= 1.500 A 39 SER N - A 39 SER CB mod.= 91.50 id.= 110.99 dev= 19.494 sig.= 1.500 A 39 SER N - A 39 SER C mod.= 135.64 id.= 109.83 dev=-25.812 sig.= 1.500 A 39 SER CA - A 39 SER OG mod.= 131.98 id.= 110.82 dev=-21.152 sig.= 1.500 A 39 SER CA - A 39 SER O mod.= 137.65 id.= 117.18 dev=-20.468 sig.= 1.500 A 39 SER HA - A 39 SER CB mod.= 125.24 id.= 108.52 dev=-16.722 sig.= 1.500 A 40 ASP CB - A 40 ASP OD1 mod.= 140.45 id.= 117.99 dev=-22.467 sig.= 1.500 A 41 LEU HG - A 41 LEU CD1 mod.= 129.54 id.= 108.05 dev=-21.492 sig.= 1.500 A 42 TRP N - A 42 TRP CB mod.= 126.55 id.= 110.56 dev=-15.986 sig.= 1.500 A 42 TRP CA - A 42 TRP CG mod.= 131.59 id.= 113.84 dev=-17.743 sig.= 1.640 A 42 TRP HA - A 42 TRP CB mod.= 91.58 id.= 108.13 dev= 16.549 sig.= 1.500 A 42 TRP CD1 - A 42 TRP CE2 mod.= 92.58 id.= 109.04 dev= 16.457 sig.= 1.500 A 42 TRP HE1 - A 42 TRP CE2 mod.= 142.11 id.= 125.63 dev=-16.478 sig.= 1.600 A 42 TRP CD2 - A 42 TRP CZ2 mod.= 137.61 id.= 122.25 dev=-15.355 sig.= 1.500 A 42 TRP CE3 - A 42 TRP CH2 mod.= 98.69 id.= 121.21 dev= 22.521 sig.= 1.500 A 42 TRP HZ3 - A 42 TRP CH2 mod.= 141.85 id.= 119.32 dev=-22.530 sig.= 1.500 A 44 PHE CA - A 44 PHE CG mod.= 141.62 id.= 114.75 dev=-26.879 sig.= 1.550 A 44 PHE HB3 - A 44 PHE CG mod.= 93.65 id.= 108.86 dev= 15.216 sig.= 1.500 A 44 PHE HB2 - A 44 PHE CG mod.= 93.66 id.= 108.86 dev= 15.203 sig.= 1.500 A 45 SER N - A 45 SER CB mod.= 130.54 id.= 110.99 dev=-19.551 sig.= 1.500 A 45 SER CA - A 45 SER OG mod.= 94.92 id.= 110.82 dev= 15.910 sig.= 1.500 A 45 SER HA - A 45 SER CB mod.= 88.70 id.= 108.52 dev= 19.814 sig.= 1.500 A 46 SER CA - A 46 SER O mod.= 97.34 id.= 117.18 dev= 19.841 sig.= 1.500 A 46 SER CA - A 47 GLU N mod.= 137.77 id.= 115.92 dev=-21.852 sig.= 1.500 A 47 GLU CA - A 48 THR N mod.= 140.01 id.= 115.92 dev=-24.096 sig.= 1.500 A 48 THR CA - A 48 THR O mod.= 146.03 id.= 117.00 dev=-29.031 sig.= 1.500 A 48 THR HA - A 48 THR CB mod.= 128.56 id.= 108.62 dev=-19.941 sig.= 1.500 A 48 THR HB - A 48 THR OG1 mod.= 127.26 id.= 108.88 dev=-18.385 sig.= 1.500 A 48 THR O - A 49 THR N mod.= 98.49 id.= 123.47 dev= 24.981 sig.= 1.500 A 49 THR HB - A 49 THR OG1 mod.= 79.39 id.= 108.88 dev= 29.491 sig.= 1.500 A 51 SER N - A 51 SER CB mod.= 91.49 id.= 110.99 dev= 19.500 sig.= 1.500 A 51 SER N - A 51 SER C mod.= 132.65 id.= 109.83 dev=-22.817 sig.= 1.500 A 51 SER CA - A 51 SER O mod.= 134.13 id.= 117.18 dev=-16.953 sig.= 1.500 A 52 GLU HA - A 52 GLU CB mod.= 90.66 id.= 108.97 dev= 18.309 sig.= 1.500 A 52 GLU CG - A 52 GLU OE2 mod.= 95.85 id.= 118.21 dev= 22.359 sig.= 1.640 A 53 VAL CA - A 53 VAL CG2 mod.= 89.42 id.= 111.77 dev= 22.352 sig.= 1.500 A 53 VAL HA - A 53 VAL CB mod.= 128.69 id.= 108.63 dev=-20.058 sig.= 1.500 A 53 VAL CB - A 53 VAL C mod.= 91.37 id.= 111.39 dev= 20.014 sig.= 1.500 A 54 ASP N - A 54 ASP C mod.= 130.49 id.= 109.24 dev=-21.251 sig.= 1.500 A 54 ASP N - A 54 ASP CB B mod.= 127.17 id.= 111.34 dev=-15.831 sig.= 1.500 A 54 ASP CA B - A 54 ASP CG B mod.= 136.73 id.= 113.40 dev=-23.329 sig.= 1.640 A 54 ASP HA A - A 54 ASP CB A mod.= 90.24 id.= 108.67 dev= 18.431 sig.= 1.690 A 54 ASP CB A - A 54 ASP OD1 A mod.= 134.35 id.= 117.99 dev=-16.366 sig.= 1.500 A 54 ASP OD1 A - A 54 ASP OD2 A mod.= 92.91 id.= 124.03 dev= 31.115 sig.= 1.500 A 55 GLY CA - A 56 GLN N mod.= 138.22 id.= 115.92 dev=-22.299 sig.= 1.500 A 55 GLY O - A 56 GLN N mod.= 102.76 id.= 123.47 dev= 20.710 sig.= 1.500 A 56 GLN CA - A 56 GLN O mod.= 101.06 id.= 117.12 dev= 16.064 sig.= 1.500 A 56 GLN HA - A 56 GLN CB mod.= 92.99 id.= 108.97 dev= 15.981 sig.= 1.500 A 56 GLN CG - A 56 GLN NE2 mod.= 135.51 id.= 116.13 dev=-19.382 sig.= 1.500 A 56 GLN OE1 - A 56 GLN NE2 mod.= 100.02 id.= 122.47 dev= 22.451 sig.= 1.500 A 57 THR CA - A 57 THR O mod.= 132.02 id.= 117.00 dev=-15.015 sig.= 1.500 A 57 THR HA - A 57 THR CB mod.= 124.24 id.= 108.62 dev=-15.621 sig.= 1.500 A 58 ILE CA - A 58 ILE CG2 mod.= 132.06 id.= 110.78 dev=-21.279 sig.= 1.500 A 58 ILE HA - A 58 ILE CB mod.= 78.32 id.= 108.38 dev= 30.064 sig.= 1.500 A 58 ILE CB - A 58 ILE C mod.= 135.25 id.= 111.76 dev=-23.485 sig.= 1.500 A 58 ILE C - A 59 TYR H mod.= 100.48 id.= 119.18 dev= 18.693 sig.= 1.830 A 58 ILE C - A 59 TYR CA mod.= 140.36 id.= 122.10 dev=-18.266 sig.= 1.760 A 58 ILE O - A 59 TYR N mod.= 100.05 id.= 123.47 dev= 23.424 sig.= 1.500 A 59 TYR CG - A 59 TYR CE1 mod.= 137.71 id.= 121.47 dev=-16.242 sig.= 1.500 A 59 TYR HD1 - A 59 TYR CE1 mod.= 102.97 id.= 119.21 dev= 16.241 sig.= 1.500 A 59 TYR O - A 60 THR N mod.= 106.27 id.= 123.47 dev= 17.202 sig.= 1.500 A 60 THR N - A 60 THR CB mod.= 130.14 id.= 111.13 dev=-19.011 sig.= 1.500 A 61 PRO CA - A 61 PRO CG mod.= 121.74 id.= 103.51 dev=-18.229 sig.= 1.500 A 61 PRO HA - A 61 PRO CB mod.= 91.82 id.= 109.39 dev= 17.563 sig.= 1.500 A 62 SER N - A 62 SER CB mod.= 87.75 id.= 110.99 dev= 23.237 sig.= 1.500 A 62 SER N - A 62 SER C mod.= 127.34 id.= 109.83 dev=-17.513 sig.= 1.500 A 62 SER CB - A 62 SER C mod.= 133.71 id.= 111.38 dev=-22.332 sig.= 1.500 A 63 LYS CA - A 63 LYS CG mod.= 96.03 id.= 115.31 dev= 19.281 sig.= 1.560 A 65 THR CA - A 65 THR CG2 mod.= 96.68 id.= 112.91 dev= 16.224 sig.= 1.500 A 65 THR HA - A 65 THR CB mod.= 128.22 id.= 108.62 dev=-19.596 sig.= 1.500 A 66 THR C - A 67 ALA H mod.= 139.05 id.= 119.18 dev=-19.869 sig.= 1.830 A 66 THR C - A 67 ALA CA mod.= 101.77 id.= 122.10 dev= 20.329 sig.= 1.760 A 67 ALA CA - A 68 LYS N mod.= 97.22 id.= 115.92 dev= 18.699 sig.= 1.500 A 67 ALA HA - A 67 ALA CB mod.= 131.96 id.= 108.88 dev=-23.083 sig.= 1.500 A 67 ALA C - A 68 LYS H mod.= 143.40 id.= 119.18 dev=-24.225 sig.= 1.830 A 67 ALA C - A 68 LYS CA mod.= 97.41 id.= 122.10 dev= 24.688 sig.= 1.760 A 68 LYS CA - A 68 LYS O mod.= 136.32 id.= 117.12 dev=-19.199 sig.= 1.500 A 68 LYS HA - A 68 LYS CB mod.= 134.61 id.= 108.97 dev=-25.642 sig.= 1.500 A 69 LEU CA - A 69 LEU CG mod.= 97.29 id.= 115.44 dev= 18.154 sig.= 1.500 A 69 LEU HA - A 69 LEU CB mod.= 129.82 id.= 109.55 dev=-20.275 sig.= 1.500 A 69 LEU CB - A 69 LEU CD2 mod.= 82.70 id.= 110.88 dev= 28.181 sig.= 1.500 A 70 LEU N - A 70 LEU C mod.= 91.47 id.= 109.24 dev= 17.767 sig.= 1.500 A 70 LEU CA - A 71 SER N mod.= 100.09 id.= 115.92 dev= 15.831 sig.= 1.500 A 70 LEU HA - A 70 LEU CB mod.= 125.71 id.= 109.55 dev=-16.162 sig.= 1.500 A 70 LEU HG - A 70 LEU CD1 mod.= 125.62 id.= 108.05 dev=-17.572 sig.= 1.500 A 71 SER N - A 71 SER CB mod.= 126.52 id.= 110.99 dev=-15.529 sig.= 1.500 A 71 SER CA - A 71 SER OG mod.= 147.45 id.= 110.82 dev=-36.621 sig.= 1.500 A 71 SER CB - A 71 SER C mod.= 90.52 id.= 111.38 dev= 20.856 sig.= 1.500 A 71 SER HB3 - A 71 SER OG mod.= 88.84 id.= 109.41 dev= 20.576 sig.= 1.500 A 71 SER HB2 - A 71 SER OG mod.= 88.82 id.= 109.41 dev= 20.587 sig.= 1.500 A 71 SER C - A 72 GLY H mod.= 141.44 id.= 119.18 dev=-22.262 sig.= 1.830 A 71 SER C - A 72 GLY CA mod.= 99.41 id.= 122.10 dev= 22.686 sig.= 1.760 A 73 ALA N - A 73 ALA C mod.= 129.07 id.= 109.63 dev=-19.444 sig.= 1.500 A 73 ALA CA - A 74 THR N mod.= 145.25 id.= 115.92 dev=-29.338 sig.= 1.500 A 73 ALA HA - A 73 ALA CB mod.= 88.68 id.= 108.88 dev= 20.203 sig.= 1.500 A 74 THR CA - A 74 THR CG2 mod.= 91.27 id.= 112.91 dev= 21.637 sig.= 1.500 A 74 THR HB - A 74 THR OG1 mod.= 128.66 id.= 108.88 dev=-19.784 sig.= 1.500 A 74 THR O - A 75 TRP N mod.= 98.42 id.= 123.47 dev= 25.051 sig.= 1.500 A 75 TRP CG - A 75 TRP NE1 mod.= 90.78 id.= 110.40 dev= 19.626 sig.= 1.500 A 75 TRP HD1 - A 75 TRP NE1 mod.= 144.08 id.= 124.44 dev=-19.643 sig.= 1.500 A 75 TRP CE3 - A 75 TRP CH2 mod.= 145.08 id.= 121.21 dev=-23.864 sig.= 1.500 A 75 TRP CZ3 - A 75 TRP CZ2 mod.= 93.13 id.= 121.63 dev= 28.499 sig.= 1.500 A 75 TRP HZ3 - A 75 TRP CH2 mod.= 95.45 id.= 119.32 dev= 23.865 sig.= 1.500 A 75 TRP HH2 - A 75 TRP CZ2 mod.= 147.61 id.= 119.13 dev=-28.482 sig.= 1.500 A 76 SER N - A 76 SER CB mod.= 126.58 id.= 110.99 dev=-15.587 sig.= 1.500 A 76 SER CA - A 76 SER OG mod.= 130.47 id.= 110.82 dev=-19.644 sig.= 1.500 A 76 SER CA - A 76 SER O mod.= 145.38 id.= 117.18 dev=-28.200 sig.= 1.500 A 76 SER CB - A 76 SER C mod.= 91.27 id.= 111.38 dev= 20.105 sig.= 1.500 A 76 SER O - A 77 ILE N mod.= 97.67 id.= 123.47 dev= 25.801 sig.= 1.500 A 77 ILE CB - A 77 ILE CD1 mod.= 96.31 id.= 113.96 dev= 17.650 sig.= 1.500 A 77 ILE C - A 78 SER CA B mod.= 104.49 id.= 122.10 dev= 17.604 sig.= 1.760 A 78 SER N - A 78 SER C mod.= 92.51 id.= 109.83 dev= 17.321 sig.= 1.500 A 78 SER N - A 78 SER C mod.= 88.59 id.= 109.83 dev= 21.238 sig.= 1.500 A 78 SER CA A - A 79 TYR N mod.= 100.55 id.= 115.92 dev= 15.366 sig.= 1.500 A 78 SER CA B - A 79 TYR N mod.= 98.78 id.= 115.92 dev= 17.135 sig.= 1.500 A 78 SER C - A 79 TYR H mod.= 138.01 id.= 119.18 dev=-18.836 sig.= 1.830 A 78 SER C - A 79 TYR CA mod.= 102.82 id.= 122.10 dev= 19.277 sig.= 1.760 A 78 SER O - A 79 TYR N mod.= 146.23 id.= 123.47 dev=-22.761 sig.= 1.500 A 79 TYR CA - A 79 TYR CG mod.= 93.82 id.= 114.75 dev= 20.928 sig.= 1.550 A 79 TYR CB - A 79 TYR CD2 mod.= 137.03 id.= 121.08 dev=-15.948 sig.= 1.500 A 79 TYR O - A 80 GLY N mod.= 152.89 id.= 123.47 dev=-29.418 sig.= 1.500 A 80 GLY N - A 80 GLY C mod.= 137.62 id.= 111.72 dev=-25.896 sig.= 1.500 A 80 GLY CA - A 80 GLY O mod.= 142.26 id.= 117.07 dev=-25.188 sig.= 1.500 A 81 ASP CB - A 81 ASP OD1 mod.= 93.18 id.= 117.99 dev= 24.804 sig.= 1.500 A 81 ASP OD1 - A 81 ASP OD2 mod.= 150.93 id.= 124.03 dev=-26.899 sig.= 1.500 A 83 SER CA - A 84 SER N mod.= 139.03 id.= 115.92 dev=-23.109 sig.= 1.500 A 83 SER C - A 84 SER H mod.= 98.90 id.= 119.18 dev= 20.278 sig.= 1.830 A 83 SER C - A 84 SER CA mod.= 141.93 id.= 122.10 dev=-19.835 sig.= 1.760 A 84 SER CA - A 84 SER O mod.= 96.90 id.= 117.18 dev= 20.286 sig.= 1.500 A 84 SER HA - A 84 SER CB mod.= 92.21 id.= 108.52 dev= 16.307 sig.= 1.500 A 84 SER O - A 85 SER N mod.= 146.07 id.= 123.47 dev=-22.598 sig.= 1.500 A 85 SER N - A 85 SER CB mod.= 95.19 id.= 110.99 dev= 15.803 sig.= 1.500 A 85 SER CA - A 86 SER N mod.= 86.19 id.= 115.92 dev= 29.729 sig.= 1.500 A 85 SER C - A 86 SER H mod.= 143.73 id.= 119.18 dev=-24.557 sig.= 1.830 A 85 SER C - A 86 SER CA mod.= 97.10 id.= 122.10 dev= 24.999 sig.= 1.760 A 85 SER O - A 86 SER N mod.= 153.57 id.= 123.47 dev=-30.105 sig.= 1.500 A 86 SER CA - A 87 GLY N mod.= 132.90 id.= 115.92 dev=-16.987 sig.= 1.500 A 86 SER C - A 87 GLY H mod.= 97.95 id.= 119.18 dev= 21.224 sig.= 1.830 A 86 SER C - A 87 GLY CA mod.= 142.91 id.= 122.10 dev=-20.811 sig.= 1.760 A 86 SER O - A 87 GLY N mod.= 103.48 id.= 123.47 dev= 19.985 sig.= 1.500 A 87 GLY CA - A 87 GLY O mod.= 138.64 id.= 117.07 dev=-21.564 sig.= 1.500 A 88 ASP CA - A 89 VAL N mod.= 92.90 id.= 115.92 dev= 23.019 sig.= 1.500 A 88 ASP CB - A 88 ASP OD1 mod.= 95.91 id.= 117.99 dev= 22.078 sig.= 1.500 A 88 ASP OD1 - A 88 ASP OD2 mod.= 155.52 id.= 124.03 dev=-31.491 sig.= 1.500 A 88 ASP C - A 89 VAL H mod.= 147.80 id.= 119.18 dev=-28.620 sig.= 1.830 A 88 ASP C - A 89 VAL CA mod.= 93.05 id.= 122.10 dev= 29.043 sig.= 1.760 A 88 ASP O - A 89 VAL N mod.= 147.19 id.= 123.47 dev=-23.723 sig.= 1.500 A 89 VAL HA - A 89 VAL CB mod.= 131.09 id.= 108.63 dev=-22.458 sig.= 1.500 A 89 VAL CB - A 89 VAL C mod.= 86.97 id.= 111.39 dev= 24.420 sig.= 1.500 A 90 TYR CD1 - A 90 TYR CD2 mod.= 96.94 id.= 117.83 dev= 20.894 sig.= 1.500 A 91 THR N - A 91 THR CB mod.= 133.34 id.= 111.13 dev=-22.219 sig.= 1.500 A 91 THR CA - A 92 ASP N mod.= 131.57 id.= 115.92 dev=-15.649 sig.= 1.500 A 91 THR HB - A 91 THR OG1 mod.= 93.86 id.= 108.88 dev= 15.016 sig.= 1.500 A 92 ASP N - A 92 ASP CB mod.= 128.92 id.= 111.34 dev=-17.586 sig.= 1.500 A 92 ASP CB - A 92 ASP OD1 mod.= 99.89 id.= 117.99 dev= 18.095 sig.= 1.500 A 93 THR N - A 93 THR C mod.= 90.33 id.= 109.41 dev= 19.086 sig.= 1.500 A 93 THR CA - A 93 THR OG1 mod.= 71.39 id.= 108.09 dev= 36.705 sig.= 2.620 A 93 THR HA - A 93 THR CB mod.= 125.42 id.= 108.62 dev=-16.797 sig.= 1.500 A 93 THR HB - A 93 THR OG1 mod.= 134.98 id.= 108.88 dev=-26.105 sig.= 1.500 A 94 VAL HA - A 94 VAL CB mod.= 93.44 id.= 108.63 dev= 15.190 sig.= 1.500 A 95 SER CA - A 95 SER OG mod.= 81.61 id.= 110.82 dev= 29.210 sig.= 1.500 A 95 SER CB - A 95 SER C mod.= 93.69 id.= 111.38 dev= 17.690 sig.= 1.500 A 96 VAL HA - A 96 VAL CB mod.= 93.20 id.= 108.63 dev= 15.432 sig.= 1.500 A 97 GLY N - A 97 GLY C mod.= 93.57 id.= 111.72 dev= 18.155 sig.= 1.500 A 97 GLY CA - A 97 GLY O mod.= 99.64 id.= 117.07 dev= 17.433 sig.= 1.500 A 98 GLY CA - A 98 GLY O mod.= 95.77 id.= 117.07 dev= 21.306 sig.= 1.500 A 99 LEU C - A 100 THR H mod.= 99.52 id.= 119.18 dev= 19.652 sig.= 1.830 A 99 LEU C - A 100 THR CA mod.= 141.28 id.= 122.10 dev=-19.183 sig.= 1.760 A 99 LEU O - A 100 THR N mod.= 106.91 id.= 123.47 dev= 16.562 sig.= 1.500 A 100 THR N - A 100 THR C mod.= 127.76 id.= 109.41 dev=-18.347 sig.= 1.500 A 100 THR CA - A 100 THR CG2 mod.= 128.90 id.= 112.91 dev=-15.993 sig.= 1.500 A 100 THR HA - A 100 THR CB mod.= 88.42 id.= 108.62 dev= 20.203 sig.= 1.500 A 101 VAL CA - A 101 VAL O mod.= 133.92 id.= 117.13 dev=-16.785 sig.= 1.500 A 101 VAL HA - A 101 VAL CB mod.= 128.16 id.= 108.63 dev=-19.531 sig.= 1.500 A 101 VAL CB - A 101 VAL C mod.= 94.91 id.= 111.39 dev= 16.476 sig.= 1.500 A 101 VAL HB - A 101 VAL CG1 mod.= 126.33 id.= 107.60 dev=-18.728 sig.= 1.500 A 101 VAL O - A 102 THR N mod.= 102.27 id.= 123.47 dev= 21.196 sig.= 1.500 A 102 THR CA - A 102 THR O mod.= 154.77 id.= 117.00 dev=-37.766 sig.= 1.500 A 102 THR O - A 103 GLY N mod.= 88.81 id.= 123.47 dev= 34.658 sig.= 1.500 A 104 GLN N - A 104 GLN CB mod.= 92.93 id.= 110.37 dev= 17.449 sig.= 1.620 A 104 GLN HA - A 104 GLN CB mod.= 126.55 id.= 108.97 dev=-17.587 sig.= 1.500 A 104 GLN CG - A 104 GLN OE1 mod.= 104.35 id.= 121.40 dev= 17.052 sig.= 1.500 A 104 GLN C - A 105 ALA CA mod.= 139.79 id.= 122.10 dev=-17.700 sig.= 1.760 A 105 ALA CA - A 106 VAL N mod.= 98.56 id.= 115.92 dev= 17.362 sig.= 1.500 A 105 ALA CB - A 105 ALA C mod.= 95.71 id.= 111.49 dev= 15.776 sig.= 1.500 A 107 GLU CG - A 107 GLU OE2 mod.= 92.57 id.= 118.21 dev= 25.644 sig.= 1.640 A 108 SER N - A 108 SER C mod.= 83.11 id.= 109.83 dev= 26.718 sig.= 1.500 A 110 LYS CA - A 110 LYS CG mod.= 91.31 id.= 115.31 dev= 24.004 sig.= 1.560 A 110 LYS CA - A 110 LYS O mod.= 99.30 id.= 117.12 dev= 17.829 sig.= 1.500 A 110 LYS HA - A 110 LYS CB mod.= 134.57 id.= 108.97 dev=-25.608 sig.= 1.500 A 110 LYS CB - A 110 LYS CD mod.= 88.57 id.= 113.33 dev= 24.757 sig.= 2.000 A 110 LYS O - A 111 LYS N mod.= 147.96 id.= 123.47 dev=-24.486 sig.= 1.500 A 111 LYS N - A 111 LYS C mod.= 132.27 id.= 109.24 dev=-23.031 sig.= 1.500 A 111 LYS CA - A 111 LYS O mod.= 101.71 id.= 117.12 dev= 15.417 sig.= 1.500 A 111 LYS HA - A 111 LYS CB mod.= 86.85 id.= 108.97 dev= 22.117 sig.= 1.500 A 112 VAL CA - A 112 VAL CG2 mod.= 90.20 id.= 111.77 dev= 21.576 sig.= 1.500 A 112 VAL HA - A 112 VAL CB mod.= 77.07 id.= 108.63 dev= 31.563 sig.= 1.500 A 112 VAL HB - A 112 VAL CG1 mod.= 123.53 id.= 107.60 dev=-15.928 sig.= 1.500 A 113 SER CA - A 113 SER OG mod.= 89.83 id.= 110.82 dev= 20.999 sig.= 1.500 A 113 SER HA - A 113 SER CB mod.= 73.39 id.= 108.52 dev= 35.132 sig.= 1.500 A 113 SER C - A 114 SER H mod.= 138.44 id.= 119.18 dev=-19.260 sig.= 1.830 A 113 SER C - A 114 SER CA mod.= 102.39 id.= 122.10 dev= 19.702 sig.= 1.760 A 114 SER HA - A 114 SER CB mod.= 126.91 id.= 108.52 dev=-18.392 sig.= 1.500 A 115 SER N - A 115 SER C mod.= 126.29 id.= 109.83 dev=-16.464 sig.= 1.500 A 115 SER CA A - A 115 SER O mod.= 139.78 id.= 117.18 dev=-22.595 sig.= 1.500 A 115 SER CA B - A 115 SER O mod.= 143.38 id.= 117.18 dev=-26.200 sig.= 1.500 A 116 PHE CB - A 116 PHE CD2 mod.= 145.97 id.= 120.97 dev=-25.005 sig.= 1.500 A 117 THR N - A 117 THR CB mod.= 94.05 id.= 111.13 dev= 17.076 sig.= 1.500 A 117 THR HA - A 117 THR CB mod.= 128.47 id.= 108.62 dev=-19.850 sig.= 1.500 A 118 GLU N - A 118 GLU CB mod.= 86.46 id.= 110.37 dev= 23.912 sig.= 1.620 A 118 GLU CG - A 118 GLU OE2 mod.= 100.10 id.= 118.21 dev= 18.116 sig.= 1.640 A 118 GLU OE1 - A 118 GLU OE2 mod.= 139.03 id.= 123.57 dev=-15.463 sig.= 1.500 A 118 GLU C - A 119 ASP CA B mod.= 102.60 id.= 122.10 dev= 19.499 sig.= 1.760 A 119 ASP N - A 119 ASP CB A mod.= 95.79 id.= 111.34 dev= 15.545 sig.= 1.500 A 119 ASP N - A 119 ASP C mod.= 127.05 id.= 109.24 dev=-17.813 sig.= 1.500 A 119 ASP N - A 119 ASP CB B mod.= 89.55 id.= 111.34 dev= 21.788 sig.= 1.500 A 119 ASP CA B - A 119 ASP CG B mod.= 88.95 id.= 113.40 dev= 24.445 sig.= 1.640 A 119 ASP HA A - A 119 ASP CB A mod.= 89.04 id.= 108.67 dev= 19.623 sig.= 1.690 A 119 ASP HA B - A 119 ASP CB B mod.= 142.11 id.= 108.67 dev=-33.439 sig.= 1.690 A 119 ASP CB A - A 119 ASP OD1 A mod.= 96.44 id.= 117.99 dev= 21.542 sig.= 1.500 A 119 ASP CB B - A 119 ASP OD1 B mod.= 141.24 id.= 117.99 dev=-23.254 sig.= 1.500 A 119 ASP CB B - A 119 ASP OD2 B mod.= 97.92 id.= 117.99 dev= 20.068 sig.= 1.500 A 119 ASP OD1 A - A 119 ASP OD2 A mod.= 142.34 id.= 124.03 dev=-18.311 sig.= 1.500 A 120 SER HA - A 120 SER CB mod.= 138.72 id.= 108.52 dev=-30.201 sig.= 1.500 A 120 SER CB - A 120 SER C mod.= 93.09 id.= 111.38 dev= 18.291 sig.= 1.500 A 120 SER O - A 121 THR N mod.= 104.13 id.= 123.47 dev= 19.337 sig.= 1.500 A 121 THR HB - A 121 THR OG1 mod.= 126.69 id.= 108.88 dev=-17.814 sig.= 1.500 A 121 THR C - A 122 ILE H mod.= 139.98 id.= 119.18 dev=-20.803 sig.= 1.830 A 121 THR C - A 122 ILE CA mod.= 100.85 id.= 122.10 dev= 21.244 sig.= 1.760 A 122 ILE HB - A 122 ILE CG1 mod.= 89.75 id.= 107.40 dev= 17.653 sig.= 1.500 A 123 ASP N - A 123 ASP CB mod.= 87.45 id.= 111.34 dev= 23.891 sig.= 1.500 A 123 ASP N - A 123 ASP C mod.= 85.75 id.= 109.24 dev= 23.487 sig.= 1.500 A 123 ASP CA - A 123 ASP O mod.= 96.68 id.= 117.12 dev= 20.440 sig.= 1.500 A 123 ASP CA - A 124 GLY N mod.= 145.48 id.= 115.92 dev=-29.566 sig.= 1.500 A 123 ASP HA - A 123 ASP CB mod.= 126.86 id.= 108.67 dev=-18.196 sig.= 1.690 A 123 ASP OD1 - A 123 ASP OD2 mod.= 107.04 id.= 124.03 dev= 16.983 sig.= 1.500 A 124 GLY CA - A 124 GLY O mod.= 134.20 id.= 117.07 dev=-17.125 sig.= 1.500 A 124 GLY CA - A 125 LEU N mod.= 95.06 id.= 115.92 dev= 20.853 sig.= 1.500 A 125 LEU CA - A 125 LEU O mod.= 145.03 id.= 117.12 dev=-27.909 sig.= 1.500 A 125 LEU CB - A 125 LEU C mod.= 95.67 id.= 111.07 dev= 15.405 sig.= 1.500 A 125 LEU CB - A 125 LEU CD1 mod.= 133.72 id.= 110.88 dev=-22.840 sig.= 1.500 A 125 LEU HG - A 125 LEU CD1 mod.= 86.33 id.= 108.05 dev= 21.718 sig.= 1.500 A 125 LEU O - A 126 LEU N mod.= 95.98 id.= 123.47 dev= 27.489 sig.= 1.500 A 126 LEU CA - A 127 GLY N mod.= 131.82 id.= 115.92 dev=-15.903 sig.= 1.500 A 126 LEU C - A 127 GLY H mod.= 89.64 id.= 119.18 dev= 29.534 sig.= 1.830 A 126 LEU C - A 127 GLY CA mod.= 151.18 id.= 122.10 dev=-29.081 sig.= 1.760 A 126 LEU O - A 127 GLY N mod.= 106.05 id.= 123.47 dev= 17.423 sig.= 1.500 A 128 LEU N - A 128 LEU CB mod.= 88.67 id.= 108.96 dev= 20.284 sig.= 1.500 A 128 LEU HA - A 128 LEU CB mod.= 126.78 id.= 109.55 dev=-17.228 sig.= 1.500 A 128 LEU CB - A 128 LEU CD2 mod.= 127.13 id.= 110.88 dev=-16.251 sig.= 1.500 A 128 LEU HG - A 128 LEU CD1 mod.= 73.44 id.= 108.05 dev= 34.616 sig.= 1.500 A 129 ALA C - A 130 PHE CA mod.= 103.71 id.= 122.10 dev= 18.382 sig.= 1.760 A 130 PHE N - A 130 PHE CB mod.= 93.02 id.= 110.49 dev= 17.472 sig.= 1.500 A 130 PHE CA - A 130 PHE CG mod.= 96.66 id.= 114.75 dev= 18.082 sig.= 1.550 A 130 PHE CA - A 131 SER N mod.= 91.29 id.= 115.92 dev= 24.625 sig.= 1.500 A 130 PHE CD1 - A 130 PHE CZ mod.= 139.45 id.= 120.32 dev=-19.128 sig.= 1.500 A 130 PHE CE1 - A 130 PHE CE2 mod.= 95.64 id.= 120.04 dev= 24.405 sig.= 1.500 A 130 PHE HE1 - A 130 PHE CZ mod.= 100.76 id.= 119.88 dev= 19.121 sig.= 1.500 A 130 PHE HZ - A 130 PHE CE2 mod.= 144.36 id.= 119.98 dev=-24.386 sig.= 1.500 A 130 PHE C - A 131 SER H mod.= 138.81 id.= 119.18 dev=-19.637 sig.= 1.830 A 130 PHE C - A 131 SER CA mod.= 102.02 id.= 122.10 dev= 20.070 sig.= 1.760 A 131 SER N - A 131 SER C mod.= 129.66 id.= 109.83 dev=-19.833 sig.= 1.500 A 131 SER CB - A 131 SER C mod.= 91.93 id.= 111.38 dev= 19.449 sig.= 1.500 A 132 THR CA - A 132 THR O mod.= 98.88 id.= 117.00 dev= 18.119 sig.= 1.500 A 132 THR HA - A 132 THR CB mod.= 124.16 id.= 108.62 dev=-15.537 sig.= 1.500 A 132 THR OG1 - A 132 THR CG2 mod.= 82.44 id.= 109.78 dev= 27.339 sig.= 2.110 A 133 LEU CA - A 133 LEU CG mod.= 131.44 id.= 115.44 dev=-15.997 sig.= 1.500 A 133 LEU HA - A 133 LEU CB mod.= 90.87 id.= 109.55 dev= 18.679 sig.= 1.500 A 133 LEU CB - A 133 LEU C mod.= 129.83 id.= 111.07 dev=-18.754 sig.= 1.500 A 133 LEU C - A 134 ASN H mod.= 150.73 id.= 119.18 dev=-31.551 sig.= 1.830 A 133 LEU C - A 134 ASN CA mod.= 90.07 id.= 122.10 dev= 32.020 sig.= 1.760 A 133 LEU O - A 134 ASN N mod.= 142.87 id.= 123.47 dev=-19.396 sig.= 1.500 A 134 ASN N - A 134 ASN CB mod.= 85.01 id.= 111.77 dev= 26.759 sig.= 1.500 A 134 ASN CA - A 134 ASN O mod.= 137.24 id.= 117.12 dev=-20.116 sig.= 1.500 A 134 ASN HA - A 134 ASN CB mod.= 136.11 id.= 107.98 dev=-28.123 sig.= 1.500 A 135 THR HB - A 135 THR OG1 mod.= 85.49 id.= 108.88 dev= 23.387 sig.= 1.500 A 137 SER CA - A 138 PRO N mod.= 88.92 id.= 118.42 dev= 29.497 sig.= 1.500 A 137 SER HA - A 137 SER CB mod.= 137.21 id.= 108.52 dev=-28.697 sig.= 1.500 A 137 SER CB - A 137 SER C mod.= 93.55 id.= 111.38 dev= 17.829 sig.= 1.500 A 137 SER C - A 138 PRO CA mod.= 145.69 id.= 120.47 dev=-25.223 sig.= 1.500 A 137 SER C - A 138 PRO CD mod.= 90.65 id.= 124.00 dev= 33.358 sig.= 1.500 A 138 PRO CA - A 138 PRO CG mod.= 81.84 id.= 103.51 dev= 21.662 sig.= 1.500 A 138 PRO CA - A 138 PRO O mod.= 145.57 id.= 117.01 dev=-28.556 sig.= 1.950 A 138 PRO CA - A 139 THR N mod.= 92.12 id.= 115.92 dev= 23.800 sig.= 1.500 A 139 THR N - A 139 THR CB mod.= 93.25 id.= 111.13 dev= 17.879 sig.= 1.500 A 140 GLN N - A 140 GLN C mod.= 136.20 id.= 109.24 dev=-26.957 sig.= 1.500 A 140 GLN CA - A 141 GLN N mod.= 137.13 id.= 115.92 dev=-21.214 sig.= 1.500 A 140 GLN HA - A 140 GLN CB mod.= 82.81 id.= 108.97 dev= 26.155 sig.= 1.500 A 140 GLN CG - A 140 GLN OE1 mod.= 101.84 id.= 121.40 dev= 19.564 sig.= 1.500 A 140 GLN CG - A 140 GLN NE2 mod.= 99.91 id.= 116.13 dev= 16.216 sig.= 1.500 A 140 GLN OE1 - A 140 GLN NE2 mod.= 156.66 id.= 122.47 dev=-34.185 sig.= 1.500 A 141 GLN CA - A 142 LYS N mod.= 98.75 id.= 115.92 dev= 17.166 sig.= 1.500 A 141 GLN OE1 - A 141 GLN NE2 mod.= 107.09 id.= 122.47 dev= 15.379 sig.= 1.500 A 143 THR CA - A 143 THR O mod.= 134.26 id.= 117.00 dev=-17.252 sig.= 1.500 A 143 THR HB - A 143 THR OG1 mod.= 74.59 id.= 108.88 dev= 34.287 sig.= 1.500 A 143 THR O - A 144 PHE N mod.= 107.54 id.= 123.47 dev= 15.934 sig.= 1.500 A 144 PHE HA - A 144 PHE CB mod.= 92.88 id.= 108.69 dev= 15.813 sig.= 1.500 A 144 PHE CE1 - A 144 PHE CE2 mod.= 138.75 id.= 120.04 dev=-18.703 sig.= 1.500 A 144 PHE HZ - A 144 PHE CE2 mod.= 101.26 id.= 119.98 dev= 18.721 sig.= 1.500 A 144 PHE C - A 145 PHE H mod.= 139.95 id.= 119.18 dev=-20.771 sig.= 1.830 A 144 PHE C - A 145 PHE CA mod.= 100.84 id.= 122.10 dev= 21.251 sig.= 1.760 A 145 PHE N - A 145 PHE CB mod.= 95.20 id.= 110.49 dev= 15.295 sig.= 1.500 A 145 PHE CA - A 146 ASP N mod.= 139.59 id.= 115.92 dev=-23.671 sig.= 1.500 A 145 PHE HA - A 145 PHE CB mod.= 133.49 id.= 108.69 dev=-24.797 sig.= 1.500 A 145 PHE CG - A 145 PHE CE1 mod.= 101.45 id.= 120.62 dev= 19.174 sig.= 1.500 A 145 PHE HD1 - A 145 PHE CE1 mod.= 138.96 id.= 119.79 dev=-19.176 sig.= 1.500 A 145 PHE CE1 - A 145 PHE CE2 mod.= 104.61 id.= 120.04 dev= 15.429 sig.= 1.500 A 145 PHE CZ - A 145 PHE CD2 mod.= 155.92 id.= 120.32 dev=-35.595 sig.= 1.500 A 145 PHE HZ - A 145 PHE CE2 mod.= 135.43 id.= 119.98 dev=-15.449 sig.= 1.500 A 145 PHE CD2 - A 145 PHE HE2 mod.= 84.09 id.= 119.79 dev= 35.699 sig.= 1.500 A 145 PHE C - A 146 ASP H mod.= 90.57 id.= 119.18 dev= 28.605 sig.= 1.830 A 145 PHE C - A 146 ASP CA A mod.= 150.22 id.= 122.10 dev=-28.127 sig.= 1.760 A 145 PHE O - A 146 ASP N mod.= 100.29 id.= 123.47 dev= 23.180 sig.= 1.500 A 146 ASP N - A 146 ASP C mod.= 90.19 id.= 109.24 dev= 19.046 sig.= 1.500 A 146 ASP N - A 146 ASP CB B mod.= 95.50 id.= 111.34 dev= 15.835 sig.= 1.500 A 146 ASP CB B - A 146 ASP OD1 B mod.= 102.90 id.= 117.99 dev= 15.087 sig.= 1.500 A 147 ASN N - A 147 ASN CB mod.= 86.69 id.= 111.77 dev= 25.078 sig.= 1.500 A 147 ASN N - A 147 ASN C mod.= 124.47 id.= 109.24 dev=-15.229 sig.= 1.500 A 147 ASN HA - A 147 ASN CB mod.= 138.36 id.= 107.98 dev=-30.380 sig.= 1.500 A 149 LYS CA - A 150 ALA N mod.= 135.76 id.= 115.92 dev=-19.845 sig.= 1.500 A 149 LYS HA - A 149 LYS CB mod.= 127.84 id.= 108.97 dev=-18.873 sig.= 1.500 A 149 LYS O - A 150 ALA N mod.= 105.45 id.= 123.47 dev= 18.015 sig.= 1.500 A 150 ALA N - A 150 ALA C mod.= 124.72 id.= 109.63 dev=-15.093 sig.= 1.500 A 150 ALA CA - A 150 ALA O mod.= 143.34 id.= 117.16 dev=-26.179 sig.= 1.570 A 150 ALA C - A 151 SER H mod.= 138.32 id.= 119.18 dev=-19.144 sig.= 1.830 A 150 ALA C - A 151 SER CA A mod.= 102.50 id.= 122.10 dev= 19.591 sig.= 1.760 A 151 SER N - A 151 SER C mod.= 133.42 id.= 109.83 dev=-23.593 sig.= 1.500 A 151 SER CA A - A 151 SER O mod.= 146.20 id.= 117.18 dev=-29.019 sig.= 1.500 A 151 SER CA A - A 152 LEU N mod.= 97.09 id.= 115.92 dev= 18.823 sig.= 1.500 A 151 SER CA B - A 151 SER O mod.= 145.01 id.= 117.18 dev=-27.830 sig.= 1.500 A 151 SER CA B - A 152 LEU N mod.= 99.47 id.= 115.92 dev= 16.450 sig.= 1.500 A 152 LEU CA - A 152 LEU O mod.= 134.75 id.= 117.12 dev=-17.621 sig.= 1.500 A 152 LEU CA - A 153 ASP N mod.= 100.47 id.= 115.92 dev= 15.451 sig.= 1.500 A 153 ASP N - A 153 ASP CB mod.= 92.76 id.= 111.34 dev= 18.574 sig.= 1.500 A 153 ASP N - A 153 ASP C mod.= 129.39 id.= 109.24 dev=-20.144 sig.= 1.500 A 153 ASP CA - A 153 ASP CG mod.= 131.50 id.= 113.40 dev=-18.099 sig.= 1.640 A 153 ASP CA - A 153 ASP O mod.= 141.38 id.= 117.12 dev=-24.251 sig.= 1.500 A 153 ASP CA - A 154 SER N mod.= 94.26 id.= 115.92 dev= 21.652 sig.= 1.500 A 153 ASP CB - A 153 ASP OD2 mod.= 140.15 id.= 117.99 dev=-22.169 sig.= 1.500 A 154 SER N - A 154 SER CB mod.= 95.30 id.= 110.99 dev= 15.688 sig.= 1.500 A 154 SER HA - A 154 SER CB mod.= 134.85 id.= 108.52 dev=-26.332 sig.= 1.500 A 155 PRO CA - A 155 PRO CG mod.= 75.49 id.= 103.51 dev= 28.021 sig.= 1.500 A 155 PRO HA - A 155 PRO CB mod.= 86.43 id.= 109.39 dev= 22.960 sig.= 1.500 A 155 PRO O - A 156 VAL N mod.= 104.79 id.= 123.47 dev= 18.676 sig.= 1.500 A 156 VAL N - A 156 VAL C mod.= 133.10 id.= 108.76 dev=-24.334 sig.= 1.500 A 156 VAL CA - A 156 VAL CG2 mod.= 94.50 id.= 111.77 dev= 17.268 sig.= 1.500 A 156 VAL CA - A 156 VAL O mod.= 93.79 id.= 117.13 dev= 23.342 sig.= 1.500 A 156 VAL HB - A 156 VAL CG1 mod.= 140.13 id.= 107.60 dev=-32.529 sig.= 1.500 A 156 VAL CG1 - A 156 VAL CG2 mod.= 87.81 id.= 110.68 dev= 22.864 sig.= 1.500 A 157 PHE N - A 157 PHE CB mod.= 90.47 id.= 110.49 dev= 20.023 sig.= 1.500 A 157 PHE HA - A 157 PHE CB mod.= 126.63 id.= 108.69 dev=-17.943 sig.= 1.500 A 157 PHE C - A 158 THR H mod.= 95.75 id.= 119.18 dev= 23.422 sig.= 1.830 A 157 PHE C - A 158 THR CA mod.= 145.07 id.= 122.10 dev=-22.971 sig.= 1.760 A 157 PHE O - A 158 THR N mod.= 105.21 id.= 123.47 dev= 18.259 sig.= 1.500 A 158 THR N - A 158 THR CB mod.= 131.99 id.= 111.13 dev=-20.865 sig.= 1.500 A 158 THR HA - A 158 THR CB mod.= 74.37 id.= 108.62 dev= 34.251 sig.= 1.500 A 159 ALA C - A 160 ASP H mod.= 98.73 id.= 119.18 dev= 20.448 sig.= 1.830 A 159 ALA C - A 160 ASP CA mod.= 142.09 id.= 122.10 dev=-19.992 sig.= 1.760 A 160 ASP CB - A 160 ASP OD2 mod.= 135.92 id.= 117.99 dev=-17.930 sig.= 1.500 A 161 LEU CA - A 161 LEU O mod.= 139.34 id.= 117.12 dev=-22.214 sig.= 1.500 A 161 LEU CA - A 162 GLY N mod.= 90.18 id.= 115.92 dev= 25.737 sig.= 1.500 A 161 LEU C - A 162 GLY H mod.= 145.70 id.= 119.18 dev=-26.521 sig.= 1.830 A 161 LEU C - A 162 GLY CA mod.= 95.10 id.= 122.10 dev= 26.996 sig.= 1.760 A 163 TYR CG - A 163 TYR CE1 mod.= 99.02 id.= 121.47 dev= 22.455 sig.= 1.500 A 163 TYR CD1 - A 163 TYR CZ mod.= 139.22 id.= 119.82 dev=-19.400 sig.= 1.500 A 163 TYR HD1 - A 163 TYR CE1 mod.= 141.60 id.= 119.21 dev=-22.387 sig.= 1.500 A 163 TYR HE1 - A 163 TYR CZ mod.= 100.60 id.= 120.01 dev= 19.403 sig.= 1.500 A 164 HIS CA - A 164 HIS CG mod.= 95.36 id.= 113.73 dev= 18.370 sig.= 1.500 A 164 HIS CB - A 164 HIS C mod.= 88.88 id.= 112.13 dev= 23.251 sig.= 2.240 A 164 HIS CG - A 164 HIS CE1 mod.= 130.47 id.= 109.26 dev=-21.216 sig.= 1.500 A 164 HIS ND1 - A 164 HIS NE2 mod.= 77.64 id.= 108.33 dev= 30.691 sig.= 1.500 A 164 HIS CE1 - A 164 HIS CD2 mod.= 134.46 id.= 108.95 dev=-25.515 sig.= 1.500 A 164 HIS HE1 - A 164 HIS NE2 mod.= 156.64 id.= 125.95 dev=-30.687 sig.= 1.500 A 164 HIS HE2 - A 164 HIS CD2 mod.= 100.10 id.= 125.60 dev= 25.505 sig.= 2.040 A 165 ALA N - A 165 ALA C mod.= 132.30 id.= 109.63 dev=-22.676 sig.= 1.500 A 165 ALA CA - A 166 PRO N mod.= 158.80 id.= 118.42 dev=-40.381 sig.= 1.500 A 165 ALA HA - A 165 ALA CB mod.= 88.59 id.= 108.88 dev= 20.289 sig.= 1.500 A 165 ALA C - A 166 PRO CA mod.= 139.29 id.= 120.47 dev=-18.821 sig.= 1.500 A 165 ALA C - A 166 PRO CD mod.= 99.91 id.= 124.00 dev= 24.098 sig.= 1.500 A 165 ALA O - A 166 PRO N mod.= 89.74 id.= 121.02 dev= 31.274 sig.= 1.530 A 166 PRO CA - A 166 PRO CG mod.= 120.79 id.= 103.51 dev=-17.280 sig.= 1.500 A 166 PRO CA - A 167 GLY N mod.= 94.49 id.= 115.92 dev= 21.427 sig.= 1.500 A 166 PRO HA - A 166 PRO CB mod.= 136.37 id.= 109.39 dev=-26.980 sig.= 1.500 A 166 PRO CB - A 166 PRO CD mod.= 82.65 id.= 104.50 dev= 21.858 sig.= 1.950 A 167 GLY CA - A 167 GLY O mod.= 97.76 id.= 117.07 dev= 19.315 sig.= 1.500 A 169 TYR CG - A 169 TYR CE1 mod.= 104.73 id.= 121.47 dev= 16.739 sig.= 1.500 A 169 TYR HD1 - A 169 TYR CE1 mod.= 135.92 id.= 119.21 dev=-16.708 sig.= 1.500 A 169 TYR O - A 170 ASN N mod.= 140.70 id.= 123.47 dev=-17.227 sig.= 1.500 A 170 ASN N - A 170 ASN C mod.= 124.60 id.= 109.24 dev=-15.360 sig.= 1.500 A 170 ASN O - A 171 PHE N mod.= 143.95 id.= 123.47 dev=-20.477 sig.= 1.500 A 171 PHE CA - A 171 PHE O mod.= 153.66 id.= 117.23 dev=-36.428 sig.= 2.130 A 171 PHE CB - A 171 PHE CD2 mod.= 104.36 id.= 120.97 dev= 16.606 sig.= 1.500 A 171 PHE CD1 - A 171 PHE CD2 mod.= 135.68 id.= 118.06 dev=-17.622 sig.= 1.500 A 171 PHE O - A 172 GLY N mod.= 90.20 id.= 123.47 dev= 33.269 sig.= 1.500 A 173 PHE N - A 173 PHE C mod.= 90.61 id.= 109.45 dev= 18.836 sig.= 1.500 A 173 PHE HA - A 173 PHE CB mod.= 128.79 id.= 108.69 dev=-20.100 sig.= 1.500 A 173 PHE CG - A 173 PHE HD2 mod.= 136.03 id.= 119.59 dev=-16.436 sig.= 1.500 A 173 PHE CG - A 173 PHE CE2 mod.= 104.19 id.= 120.62 dev= 16.435 sig.= 1.500 A 174 ILE CA - A 174 ILE O mod.= 133.06 id.= 117.13 dev=-15.929 sig.= 1.500 A 174 ILE O - A 175 ASP N mod.= 102.66 id.= 123.47 dev= 20.804 sig.= 1.500 A 176 THR N - A 176 THR C mod.= 125.42 id.= 109.41 dev=-16.004 sig.= 1.500 A 176 THR CA - A 176 THR O mod.= 143.99 id.= 117.00 dev=-26.991 sig.= 1.500 A 176 THR HB - A 176 THR OG1 mod.= 124.57 id.= 108.88 dev=-15.688 sig.= 1.500 A 177 THR HA - A 177 THR CB mod.= 133.85 id.= 108.62 dev=-25.229 sig.= 1.500 A 177 THR HB - A 177 THR OG1 mod.= 85.85 id.= 108.88 dev= 23.025 sig.= 1.500 A 177 THR OG1 - A 177 THR CG2 mod.= 144.64 id.= 109.78 dev=-34.864 sig.= 2.110 A 178 ALA N - A 178 ALA CB mod.= 93.76 id.= 109.91 dev= 16.151 sig.= 1.500 A 178 ALA N - A 178 ALA C mod.= 131.28 id.= 109.63 dev=-21.648 sig.= 1.500 A 178 ALA CA - A 178 ALA O mod.= 139.07 id.= 117.16 dev=-21.913 sig.= 1.570 A 178 ALA CA - A 179 TYR N mod.= 89.15 id.= 115.92 dev= 26.770 sig.= 1.500 A 178 ALA HA - A 178 ALA CB mod.= 130.60 id.= 108.88 dev=-21.721 sig.= 1.500 A 179 TYR N - A 179 TYR CB mod.= 91.21 id.= 110.49 dev= 19.281 sig.= 1.500 A 179 TYR CA - A 180 THR N mod.= 95.60 id.= 115.92 dev= 20.321 sig.= 1.500 A 179 TYR CB - A 179 TYR CD2 mod.= 86.73 id.= 121.08 dev= 34.355 sig.= 1.500 A 179 TYR CG - A 179 TYR CE1 mod.= 105.31 id.= 121.47 dev= 16.161 sig.= 1.500 A 179 TYR CG - A 179 TYR CE2 mod.= 90.70 id.= 121.47 dev= 30.774 sig.= 1.500 A 179 TYR CG - A 179 TYR HD2 mod.= 150.06 id.= 119.32 dev=-30.748 sig.= 1.500 A 179 TYR CD1 - A 179 TYR CD2 mod.= 142.53 id.= 117.83 dev=-24.701 sig.= 1.500 A 179 TYR HD1 - A 179 TYR CE1 mod.= 135.38 id.= 119.21 dev=-16.167 sig.= 1.500 A 179 TYR CE1 - A 179 TYR CE2 mod.= 98.58 id.= 119.57 dev= 20.994 sig.= 1.500 A 179 TYR CZ - A 179 TYR CD2 mod.= 147.20 id.= 119.82 dev=-27.372 sig.= 1.500 A 179 TYR HE2 - A 179 TYR CD2 mod.= 92.79 id.= 120.17 dev= 27.380 sig.= 1.500 A 180 THR CA - A 180 THR CG2 mod.= 90.46 id.= 112.91 dev= 22.445 sig.= 1.500 A 180 THR CA - A 180 THR O mod.= 100.53 id.= 117.00 dev= 16.471 sig.= 1.500 A 180 THR HA - A 180 THR CB mod.= 92.97 id.= 108.62 dev= 15.647 sig.= 1.500 A 180 THR C - A 181 GLY H mod.= 139.47 id.= 119.18 dev=-20.293 sig.= 1.830 A 180 THR C - A 181 GLY CA mod.= 101.36 id.= 122.10 dev= 20.738 sig.= 1.760 A 180 THR O - A 181 GLY N mod.= 145.96 id.= 123.47 dev=-22.491 sig.= 1.500 A 181 GLY CA - A 182 SER N B mod.= 133.57 id.= 115.92 dev=-17.657 sig.= 1.500 A 181 GLY C - A 182 SER H B mod.= 87.63 id.= 119.18 dev= 31.551 sig.= 1.830 A 181 GLY C - A 182 SER CA B mod.= 153.18 id.= 122.10 dev=-31.089 sig.= 1.760 A 181 GLY O - A 182 SER N A mod.= 141.47 id.= 123.47 dev=-18.005 sig.= 1.500 A 182 SER N A - A 182 SER C A mod.= 92.76 id.= 109.83 dev= 17.073 sig.= 1.500 A 182 SER N B - A 182 SER CB B mod.= 133.76 id.= 110.99 dev=-22.770 sig.= 1.500 A 182 SER CA A - A 182 SER O A mod.= 132.26 id.= 117.18 dev=-15.080 sig.= 1.500 A 182 SER CA A - A 183 ILE N mod.= 98.69 id.= 115.92 dev= 17.227 sig.= 1.500 A 182 SER HA B - A 182 SER CB B mod.= 72.69 id.= 108.52 dev= 35.825 sig.= 1.500 A 182 SER CB A - A 182 SER C A mod.= 134.31 id.= 111.38 dev=-22.930 sig.= 1.500 A 182 SER C A - A 183 ILE H mod.= 142.90 id.= 119.18 dev=-23.728 sig.= 1.830 A 182 SER C A - A 183 ILE CA mod.= 97.92 id.= 122.10 dev= 24.178 sig.= 1.760 A 182 SER C B - A 183 ILE H mod.= 152.78 id.= 119.18 dev=-33.609 sig.= 1.830 A 182 SER C B - A 183 ILE CA mod.= 88.05 id.= 122.10 dev= 34.047 sig.= 1.760 A 182 SER O B - A 183 ILE N mod.= 146.04 id.= 123.47 dev=-22.574 sig.= 1.500 A 183 ILE CA - A 183 ILE O mod.= 137.23 id.= 117.13 dev=-20.100 sig.= 1.500 A 183 ILE HA - A 183 ILE CB mod.= 128.68 id.= 108.38 dev=-20.301 sig.= 1.500 A 184 THR N - A 184 THR C mod.= 92.06 id.= 109.41 dev= 17.359 sig.= 1.500 A 184 THR CA - A 184 THR O mod.= 134.85 id.= 117.00 dev=-17.844 sig.= 1.500 A 184 THR O - A 185 TYR N mod.= 105.70 id.= 123.47 dev= 17.766 sig.= 1.500 A 185 TYR N - A 185 TYR C mod.= 93.92 id.= 109.45 dev= 15.532 sig.= 1.500 A 185 TYR CG - A 185 TYR CE1 mod.= 99.22 id.= 121.47 dev= 22.255 sig.= 1.500 A 185 TYR CD1 - A 185 TYR CD2 mod.= 138.78 id.= 117.83 dev=-20.945 sig.= 1.500 A 185 TYR CD1 - A 185 TYR CZ mod.= 137.22 id.= 119.82 dev=-17.394 sig.= 1.500 A 185 TYR HD1 - A 185 TYR CE1 mod.= 141.11 id.= 119.21 dev=-21.904 sig.= 1.500 A 185 TYR HE1 - A 185 TYR CZ mod.= 102.61 id.= 120.01 dev= 17.393 sig.= 1.500 A 185 TYR CZ - A 185 TYR CD2 mod.= 97.64 id.= 119.82 dev= 22.186 sig.= 1.500 A 185 TYR HE2 - A 185 TYR CD2 mod.= 142.37 id.= 120.17 dev=-22.205 sig.= 1.500 A 186 THR CA - A 186 THR CG2 mod.= 138.85 id.= 112.91 dev=-25.940 sig.= 1.500 A 186 THR HA - A 186 THR CB mod.= 130.95 id.= 108.62 dev=-22.334 sig.= 1.500 A 186 THR C - A 187 ALA H mod.= 138.09 id.= 119.18 dev=-18.918 sig.= 1.830 A 186 THR C - A 187 ALA CA mod.= 102.72 id.= 122.10 dev= 19.377 sig.= 1.760 A 187 ALA N - A 187 ALA C mod.= 133.13 id.= 109.63 dev=-23.499 sig.= 1.500 A 187 ALA CA - A 188 VAL N mod.= 133.14 id.= 115.92 dev=-17.225 sig.= 1.500 A 187 ALA CB - A 187 ALA C mod.= 91.63 id.= 111.49 dev= 19.857 sig.= 1.500 A 187 ALA C - A 188 VAL H mod.= 94.03 id.= 119.18 dev= 25.147 sig.= 1.830 A 187 ALA C - A 188 VAL CA mod.= 146.80 id.= 122.10 dev=-24.705 sig.= 1.760 A 187 ALA O - A 188 VAL N mod.= 93.88 id.= 123.47 dev= 29.592 sig.= 1.500 A 188 VAL CA - A 188 VAL CG2 mod.= 90.43 id.= 111.77 dev= 21.339 sig.= 1.500 A 188 VAL CB - A 188 VAL C mod.= 95.32 id.= 111.39 dev= 16.064 sig.= 1.500 A 189 SER HA - A 189 SER CB mod.= 125.56 id.= 108.52 dev=-17.046 sig.= 1.500 A 189 SER CB - A 189 SER C mod.= 88.08 id.= 111.38 dev= 23.299 sig.= 1.500 A 190 THR N - A 190 THR CB mod.= 90.66 id.= 111.13 dev= 20.468 sig.= 1.500 A 190 THR HA - A 190 THR CB mod.= 138.71 id.= 108.62 dev=-30.095 sig.= 1.500 A 190 THR HB - A 190 THR OG1 mod.= 89.20 id.= 108.88 dev= 19.678 sig.= 1.500 A 192 GLN N - A 192 GLN C mod.= 126.23 id.= 109.24 dev=-16.991 sig.= 1.500 A 192 GLN CA - A 192 GLN CG mod.= 135.62 id.= 113.61 dev=-22.012 sig.= 1.500 A 192 GLN CA - A 192 GLN O mod.= 140.54 id.= 117.12 dev=-23.412 sig.= 1.500 A 192 GLN HA - A 192 GLN CB mod.= 92.29 id.= 108.97 dev= 16.680 sig.= 1.500 A 192 GLN CG - A 192 GLN OE1 mod.= 140.11 id.= 121.40 dev=-18.704 sig.= 1.500 A 192 GLN OE1 - A 192 GLN NE2 mod.= 93.17 id.= 122.47 dev= 29.302 sig.= 1.500 A 193 GLY N - A 193 GLY C mod.= 92.62 id.= 111.72 dev= 19.105 sig.= 1.500 A 193 GLY CA - A 194 PHE N mod.= 141.81 id.= 115.92 dev=-25.897 sig.= 1.500 A 193 GLY O - A 194 PHE N mod.= 105.83 id.= 123.47 dev= 17.636 sig.= 1.500 A 195 TRP N - A 195 TRP C mod.= 90.27 id.= 109.67 dev= 19.393 sig.= 1.500 A 195 TRP CA - A 195 TRP O mod.= 145.36 id.= 117.13 dev=-28.223 sig.= 1.500 A 195 TRP CA - A 196 GLU N mod.= 97.94 id.= 115.92 dev= 17.974 sig.= 1.500 A 195 TRP NE1 - A 195 TRP CD2 mod.= 87.88 id.= 107.46 dev= 19.579 sig.= 1.500 A 195 TRP NE1 - A 195 TRP CZ2 mod.= 148.02 id.= 130.29 dev=-17.722 sig.= 1.500 A 195 TRP CE2 - A 195 TRP CE3 mod.= 98.16 id.= 118.71 dev= 20.546 sig.= 1.500 A 195 TRP CE2 - A 195 TRP CH2 mod.= 137.48 id.= 117.39 dev=-20.097 sig.= 1.500 A 195 TRP CE2 - A 195 TRP HZ2 mod.= 101.03 id.= 121.14 dev= 20.111 sig.= 1.500 A 195 TRP CD2 - A 195 TRP CZ3 mod.= 146.61 id.= 118.82 dev=-27.792 sig.= 1.500 A 195 TRP HE3 - A 195 TRP CZ3 mod.= 92.81 id.= 120.68 dev= 27.864 sig.= 1.500 A 195 TRP CZ3 - A 195 TRP CZ2 mod.= 105.11 id.= 121.63 dev= 16.515 sig.= 1.500 A 195 TRP HH2 - A 195 TRP CZ2 mod.= 135.56 id.= 119.13 dev=-16.432 sig.= 1.500 A 196 GLU HA - A 196 GLU CB mod.= 126.41 id.= 108.97 dev=-17.441 sig.= 1.500 A 196 GLU CG - A 196 GLU OE1 mod.= 93.01 id.= 118.21 dev= 25.201 sig.= 1.640 A 196 GLU CG - A 196 GLU OE2 mod.= 141.03 id.= 118.21 dev=-22.817 sig.= 1.640 A 196 GLU O - A 197 TRP N mod.= 146.43 id.= 123.47 dev=-22.956 sig.= 1.500 A 197 TRP N - A 197 TRP CB mod.= 132.64 id.= 110.56 dev=-22.080 sig.= 1.500 A 197 TRP CA - A 197 TRP O mod.= 87.91 id.= 117.13 dev= 29.228 sig.= 1.500 A 197 TRP HA - A 197 TRP CB mod.= 82.94 id.= 108.13 dev= 25.186 sig.= 1.500 A 197 TRP O - A 198 THR N mod.= 144.79 id.= 123.47 dev=-21.326 sig.= 1.500 A 198 THR CA - A 198 THR CG2 mod.= 135.34 id.= 112.91 dev=-22.427 sig.= 1.500 A 199 SER HA - A 199 SER CB mod.= 92.45 id.= 108.52 dev= 16.064 sig.= 1.500 A 199 SER O - A 200 THR N mod.= 99.11 id.= 123.47 dev= 24.355 sig.= 1.500 A 200 THR CA - A 200 THR O mod.= 99.23 id.= 117.00 dev= 17.777 sig.= 1.500 A 200 THR HA - A 200 THR CB mod.= 87.77 id.= 108.62 dev= 20.846 sig.= 1.500 A 200 THR C - A 201 GLY H mod.= 139.56 id.= 119.18 dev=-20.381 sig.= 1.830 A 200 THR C - A 201 GLY CA mod.= 101.26 id.= 122.10 dev= 20.833 sig.= 1.760 A 202 TYR CA - A 202 TYR CG mod.= 93.89 id.= 114.75 dev= 20.855 sig.= 1.550 A 202 TYR HA - A 202 TYR CB mod.= 79.97 id.= 108.69 dev= 28.718 sig.= 1.500 A 202 TYR CE1 - A 202 TYR CE2 mod.= 140.23 id.= 119.57 dev=-20.662 sig.= 1.500 A 202 TYR CZ - A 202 TYR CD2 mod.= 92.58 id.= 119.82 dev= 27.242 sig.= 1.500 A 202 TYR HE2 - A 202 TYR CD2 mod.= 147.39 id.= 120.17 dev=-27.222 sig.= 1.500 A 203 ALA N - A 203 ALA CB mod.= 93.45 id.= 109.91 dev= 16.465 sig.= 1.500 A 203 ALA HA - A 203 ALA CB mod.= 140.17 id.= 108.88 dev=-31.289 sig.= 1.500 A 203 ALA CB - A 203 ALA C mod.= 94.36 id.= 111.49 dev= 17.131 sig.= 1.500 A 204 VAL N - A 204 VAL C mod.= 93.12 id.= 108.76 dev= 15.642 sig.= 1.500 A 204 VAL HA - A 204 VAL CB mod.= 126.43 id.= 108.63 dev=-17.795 sig.= 1.500 A 204 VAL HB - A 204 VAL CG1 mod.= 133.51 id.= 107.60 dev=-25.903 sig.= 1.500 A 204 VAL CG1 - A 204 VAL CG2 mod.= 91.34 id.= 110.68 dev= 19.339 sig.= 1.500 A 204 VAL O - A 205 GLY N mod.= 146.90 id.= 123.47 dev=-23.434 sig.= 1.500 A 205 GLY CA - A 206 SER N mod.= 135.79 id.= 115.92 dev=-19.875 sig.= 1.500 A 205 GLY C - A 206 SER H mod.= 91.13 id.= 119.18 dev= 28.044 sig.= 1.830 A 205 GLY C - A 206 SER CA A mod.= 149.68 id.= 122.10 dev=-27.582 sig.= 1.760 A 205 GLY C - A 206 SER CA B mod.= 145.20 id.= 122.10 dev=-23.101 sig.= 1.760 A 205 GLY O - A 206 SER N mod.= 96.41 id.= 123.47 dev= 27.059 sig.= 1.500 A 206 SER N - A 206 SER C mod.= 140.46 id.= 109.83 dev=-30.630 sig.= 1.500 A 206 SER CA B - A 207 GLY N mod.= 90.81 id.= 115.92 dev= 25.108 sig.= 1.500 A 206 SER HA A - A 206 SER CB A mod.= 90.37 id.= 108.52 dev= 18.149 sig.= 1.500 A 206 SER HA B - A 206 SER CB B mod.= 82.85 id.= 108.52 dev= 25.666 sig.= 1.500 A 206 SER HA B - A 206 SER C mod.= 92.49 id.= 108.25 dev= 15.768 sig.= 1.500 A 206 SER C - A 207 GLY CA mod.= 104.43 id.= 122.10 dev= 17.668 sig.= 1.760 A 208 THR N - A 208 THR C mod.= 127.14 id.= 109.41 dev=-17.730 sig.= 1.500 A 208 THR N - A 208 THR C mod.= 133.02 id.= 109.41 dev=-23.611 sig.= 1.500 A 208 THR CA B - A 208 THR CG2 B mod.= 138.78 id.= 112.91 dev=-25.868 sig.= 1.500 A 208 THR HA A - A 208 THR CB A mod.= 126.07 id.= 108.62 dev=-17.451 sig.= 1.500 A 208 THR CB B - A 208 THR C mod.= 81.53 id.= 111.51 dev= 29.982 sig.= 2.910 A 209 PHE CG - A 209 PHE CE1 mod.= 139.23 id.= 120.62 dev=-18.605 sig.= 1.500 A 209 PHE CD1 - A 209 PHE CD2 mod.= 102.15 id.= 118.06 dev= 15.911 sig.= 1.500 A 209 PHE CD1 - A 209 PHE CZ mod.= 97.63 id.= 120.32 dev= 22.699 sig.= 1.500 A 209 PHE HD1 - A 209 PHE CE1 mod.= 101.18 id.= 119.79 dev= 18.609 sig.= 1.500 A 209 PHE HE1 - A 209 PHE CZ mod.= 142.60 id.= 119.88 dev=-22.717 sig.= 1.500 A 210 LYS N - A 210 LYS C mod.= 93.95 id.= 109.24 dev= 15.290 sig.= 1.500 A 210 LYS CA - A 210 LYS O mod.= 134.19 id.= 117.12 dev=-17.070 sig.= 1.500 A 210 LYS HA - A 210 LYS CB mod.= 128.89 id.= 108.97 dev=-19.923 sig.= 1.500 A 210 LYS CB - A 210 LYS CD mod.= 134.73 id.= 113.33 dev=-21.404 sig.= 2.000 A 210 LYS CG - A 210 LYS CE mod.= 138.22 id.= 113.07 dev=-25.150 sig.= 1.980 A 210 LYS O - A 211 SER N mod.= 106.71 id.= 123.47 dev= 16.756 sig.= 1.500 A 211 SER CA - A 211 SER OG mod.= 94.40 id.= 110.82 dev= 16.426 sig.= 1.500 A 211 SER HA - A 211 SER CB mod.= 127.00 id.= 108.52 dev=-18.487 sig.= 1.500 A 212 THR O - A 213 SER N mod.= 107.58 id.= 123.47 dev= 15.887 sig.= 1.500 A 214 ILE N - A 214 ILE C mod.= 127.77 id.= 108.76 dev=-19.010 sig.= 1.500 A 214 ILE HB - A 214 ILE CG1 mod.= 125.56 id.= 107.40 dev=-18.154 sig.= 1.500 A 214 ILE C - A 215 ASP H mod.= 140.03 id.= 119.18 dev=-20.850 sig.= 1.830 A 214 ILE C - A 215 ASP CA A mod.= 100.78 id.= 122.10 dev= 21.317 sig.= 1.760 A 214 ILE C - A 215 ASP CA B mod.= 99.24 id.= 122.10 dev= 22.853 sig.= 1.760 A 215 ASP N - A 215 ASP CB A mod.= 83.61 id.= 111.34 dev= 27.726 sig.= 1.500 A 215 ASP N - A 215 ASP CB B mod.= 80.34 id.= 111.34 dev= 31.000 sig.= 1.500 A 215 ASP CA B - A 215 ASP O mod.= 138.36 id.= 117.12 dev=-21.235 sig.= 1.500 A 215 ASP HA B - A 215 ASP CB B mod.= 128.81 id.= 108.67 dev=-20.143 sig.= 1.690 A 215 ASP CB B - A 215 ASP OD1 B mod.= 102.65 id.= 117.99 dev= 15.338 sig.= 1.500 A 215 ASP OD1 A - A 215 ASP OD2 A mod.= 101.12 id.= 124.03 dev= 22.905 sig.= 1.500 A 217 ILE N - A 217 ILE CB mod.= 127.23 id.= 110.82 dev=-16.410 sig.= 1.500 A 217 ILE CA - A 217 ILE CG1 mod.= 96.66 id.= 111.76 dev= 15.095 sig.= 1.500 A 217 ILE CA - A 217 ILE O mod.= 143.34 id.= 117.13 dev=-26.207 sig.= 1.500 A 217 ILE HA - A 217 ILE CB mod.= 90.61 id.= 108.38 dev= 17.770 sig.= 1.500 A 217 ILE CB - A 217 ILE CD1 mod.= 97.07 id.= 113.96 dev= 16.891 sig.= 1.500 A 217 ILE HB - A 217 ILE CG1 mod.= 126.21 id.= 107.40 dev=-18.805 sig.= 1.500 A 217 ILE O - A 218 ALA N mod.= 98.29 id.= 123.47 dev= 25.178 sig.= 1.500 A 218 ALA N - A 218 ALA CB mod.= 90.65 id.= 109.91 dev= 19.263 sig.= 1.500 A 218 ALA CA - A 218 ALA O mod.= 93.02 id.= 117.16 dev= 24.136 sig.= 1.570 A 218 ALA HA - A 218 ALA CB mod.= 91.72 id.= 108.88 dev= 17.162 sig.= 1.500 A 218 ALA CB - A 218 ALA C mod.= 143.10 id.= 111.49 dev=-31.606 sig.= 1.500 A 219 ASP CA - A 219 ASP O mod.= 100.63 id.= 117.12 dev= 16.497 sig.= 1.500 A 219 ASP CA - A 220 THR N mod.= 96.84 id.= 115.92 dev= 19.080 sig.= 1.500 A 219 ASP OD1 - A 219 ASP OD2 mod.= 139.46 id.= 124.03 dev=-15.431 sig.= 1.500 A 219 ASP C - A 220 THR H mod.= 142.63 id.= 119.18 dev=-23.452 sig.= 1.830 A 219 ASP C - A 220 THR CA mod.= 98.17 id.= 122.10 dev= 23.923 sig.= 1.760 A 219 ASP O - A 220 THR N mod.= 162.51 id.= 123.47 dev=-39.041 sig.= 1.500 A 220 THR C - A 221 GLY H mod.= 139.38 id.= 119.18 dev=-20.203 sig.= 1.830 A 220 THR C - A 221 GLY CA mod.= 101.42 id.= 122.10 dev= 20.672 sig.= 1.760 A 220 THR O - A 221 GLY N mod.= 138.79 id.= 123.47 dev=-15.317 sig.= 1.500 A 221 GLY CA - A 222 THR N mod.= 90.90 id.= 115.92 dev= 25.012 sig.= 1.500 A 221 GLY O - A 222 THR N mod.= 141.99 id.= 123.47 dev=-18.519 sig.= 1.500 A 222 THR HA - A 222 THR CB mod.= 83.55 id.= 108.62 dev= 25.068 sig.= 1.500 A 222 THR HB - A 222 THR OG1 mod.= 90.10 id.= 108.88 dev= 18.774 sig.= 1.500 A 222 THR C - A 223 THR CA mod.= 103.50 id.= 122.10 dev= 18.591 sig.= 1.760 A 223 THR N - A 223 THR C mod.= 125.73 id.= 109.41 dev=-16.313 sig.= 1.500 A 224 LEU N - A 224 LEU CB mod.= 140.17 id.= 108.96 dev=-31.216 sig.= 1.500 A 224 LEU CB - A 224 LEU C mod.= 91.61 id.= 111.07 dev= 19.465 sig.= 1.500 A 224 LEU CB - A 224 LEU CD2 mod.= 82.47 id.= 110.88 dev= 28.414 sig.= 1.500 A 226 TYR CB - A 226 TYR CD1 mod.= 142.39 id.= 121.08 dev=-21.303 sig.= 1.500 A 226 TYR CB - A 226 TYR CD2 mod.= 97.95 id.= 121.08 dev= 23.130 sig.= 1.500 A 226 TYR CG - A 226 TYR CE2 mod.= 105.50 id.= 121.47 dev= 15.969 sig.= 1.500 A 226 TYR CG - A 226 TYR HD2 mod.= 135.30 id.= 119.32 dev=-15.982 sig.= 1.500 A 227 LEU N - A 227 LEU CB mod.= 128.68 id.= 108.96 dev=-19.726 sig.= 1.500 A 227 LEU HA - A 227 LEU CB mod.= 80.24 id.= 109.55 dev= 29.311 sig.= 1.500 A 227 LEU C - A 228 PRO CD mod.= 139.45 id.= 124.00 dev=-15.449 sig.= 1.500 A 229 ALA N - A 229 ALA CB mod.= 90.04 id.= 109.91 dev= 19.875 sig.= 1.500 A 229 ALA N - A 229 ALA C mod.= 92.67 id.= 109.63 dev= 16.954 sig.= 1.500 A 229 ALA CA - A 230 THR N mod.= 139.51 id.= 115.92 dev=-23.590 sig.= 1.500 A 229 ALA HA - A 229 ALA CB mod.= 141.23 id.= 108.88 dev=-32.352 sig.= 1.500 A 229 ALA CB - A 229 ALA C mod.= 96.26 id.= 111.49 dev= 15.228 sig.= 1.500 A 229 ALA O - A 230 THR N mod.= 108.31 id.= 123.47 dev= 15.162 sig.= 1.500 A 230 THR N - A 230 THR C mod.= 88.76 id.= 109.41 dev= 20.650 sig.= 1.500 A 230 THR CA - A 230 THR CG2 mod.= 128.55 id.= 112.91 dev=-15.642 sig.= 1.500 A 230 THR HA - A 230 THR CB mod.= 88.30 id.= 108.62 dev= 20.324 sig.= 1.500 A 230 THR HB - A 230 THR OG1 mod.= 131.92 id.= 108.88 dev=-23.046 sig.= 1.500 A 230 THR O - A 231 VAL N mod.= 105.35 id.= 123.47 dev= 18.117 sig.= 1.500 A 231 VAL CA - A 231 VAL CG2 mod.= 129.31 id.= 111.77 dev=-17.543 sig.= 1.500 A 231 VAL CA - A 231 VAL O mod.= 137.65 id.= 117.13 dev=-20.515 sig.= 1.500 A 231 VAL CB - A 231 VAL C mod.= 126.66 id.= 111.39 dev=-15.268 sig.= 1.500 A 232 VAL CA - A 232 VAL O mod.= 99.04 id.= 117.13 dev= 18.088 sig.= 1.500 A 233 SER CA - A 233 SER OG mod.= 130.85 id.= 110.82 dev=-20.021 sig.= 1.500 A 233 SER CA - A 233 SER O mod.= 100.65 id.= 117.18 dev= 16.535 sig.= 1.500 A 234 ALA CA - A 234 ALA O mod.= 148.47 id.= 117.16 dev=-31.315 sig.= 1.570 A 234 ALA CA - A 235 TYR N mod.= 97.41 id.= 115.92 dev= 18.507 sig.= 1.500 A 234 ALA HA - A 234 ALA CB mod.= 84.06 id.= 108.88 dev= 24.816 sig.= 1.500 A 235 TYR N - A 235 TYR CB mod.= 130.20 id.= 110.49 dev=-19.705 sig.= 1.500 A 235 TYR CA - A 235 TYR CG mod.= 134.18 id.= 114.75 dev=-19.438 sig.= 1.550 A 235 TYR CG - A 235 TYR CE1 mod.= 95.15 id.= 121.47 dev= 26.324 sig.= 1.500 A 235 TYR CG - A 235 TYR CE2 mod.= 101.91 id.= 121.47 dev= 19.565 sig.= 1.500 A 235 TYR CG - A 235 TYR HD2 mod.= 138.89 id.= 119.32 dev=-19.577 sig.= 1.500 A 235 TYR CD1 - A 235 TYR CZ mod.= 142.90 id.= 119.82 dev=-23.071 sig.= 1.500 A 235 TYR HD1 - A 235 TYR CE1 mod.= 145.54 id.= 119.21 dev=-26.333 sig.= 1.500 A 235 TYR CE1 - A 235 TYR CE2 mod.= 103.83 id.= 119.57 dev= 15.742 sig.= 1.500 A 235 TYR HE1 - A 235 TYR CZ mod.= 96.94 id.= 120.01 dev= 23.067 sig.= 1.500 A 236 TRP CA - A 236 TRP CG mod.= 90.43 id.= 113.84 dev= 23.417 sig.= 1.640 A 236 TRP CG - A 236 TRP NE1 mod.= 94.22 id.= 110.40 dev= 16.188 sig.= 1.500 A 236 TRP HD1 - A 236 TRP NE1 mod.= 140.62 id.= 124.44 dev=-16.187 sig.= 1.500 A 237 ALA HA - A 237 ALA CB mod.= 124.10 id.= 108.88 dev=-15.226 sig.= 1.500 A 237 ALA O - A 238 GLN N mod.= 143.09 id.= 123.47 dev=-19.620 sig.= 1.500 A 238 GLN N - A 238 GLN C mod.= 133.81 id.= 109.24 dev=-24.568 sig.= 1.500 A 238 GLN CA - A 238 GLN O mod.= 134.36 id.= 117.12 dev=-17.239 sig.= 1.500 A 238 GLN OE1 - A 238 GLN NE2 mod.= 106.65 id.= 122.47 dev= 15.823 sig.= 1.500 A 238 GLN O - A 239 VAL N mod.= 99.23 id.= 123.47 dev= 24.235 sig.= 1.500 A 239 VAL C - A 240 SER H mod.= 139.11 id.= 119.18 dev=-19.934 sig.= 1.830 A 239 VAL C - A 240 SER CA A mod.= 101.69 id.= 122.10 dev= 20.408 sig.= 1.760 A 239 VAL O - A 240 SER N mod.= 143.58 id.= 123.47 dev=-20.110 sig.= 1.500 A 240 SER N - A 240 SER C mod.= 94.44 id.= 109.83 dev= 15.385 sig.= 1.500 A 240 SER CA A - A 240 SER O mod.= 133.06 id.= 117.18 dev=-15.878 sig.= 1.500 A 240 SER CA B - A 241 GLY N mod.= 100.58 id.= 115.92 dev= 15.340 sig.= 1.500 A 241 GLY N - A 241 GLY C mod.= 130.61 id.= 111.72 dev=-18.890 sig.= 1.500 A 241 GLY CA - A 242 ALA N mod.= 98.74 id.= 115.92 dev= 17.175 sig.= 1.500 A 242 ALA N - A 242 ALA C mod.= 127.15 id.= 109.63 dev=-17.526 sig.= 1.500 A 242 ALA CA - A 242 ALA O mod.= 100.67 id.= 117.16 dev= 16.490 sig.= 1.570 A 242 ALA CA - A 243 LYS N mod.= 138.45 id.= 115.92 dev=-22.532 sig.= 1.500 A 242 ALA C - A 243 LYS H mod.= 99.65 id.= 119.18 dev= 19.530 sig.= 1.830 A 242 ALA C - A 243 LYS CA mod.= 141.16 id.= 122.10 dev=-19.065 sig.= 1.760 A 245 SER N - A 245 SER CB mod.= 95.90 id.= 110.99 dev= 15.091 sig.= 1.500 A 246 SER N - A 246 SER C mod.= 89.10 id.= 109.83 dev= 20.733 sig.= 1.500 A 246 SER CA - A 246 SER OG mod.= 127.82 id.= 110.82 dev=-16.999 sig.= 1.500 A 246 SER CB - A 246 SER C mod.= 134.81 id.= 111.38 dev=-23.434 sig.= 1.500 A 247 SER HA - A 247 SER CB mod.= 126.39 id.= 108.52 dev=-17.870 sig.= 1.500 A 248 VAL N - A 248 VAL C mod.= 86.83 id.= 108.76 dev= 21.937 sig.= 1.500 A 251 TYR N - A 251 TYR CB mod.= 93.36 id.= 110.49 dev= 17.137 sig.= 1.500 A 251 TYR HA - A 251 TYR CB mod.= 133.42 id.= 108.69 dev=-24.731 sig.= 1.500 A 251 TYR C - A 252 VAL H mod.= 92.25 id.= 119.18 dev= 26.930 sig.= 1.830 A 251 TYR C - A 252 VAL CA mod.= 148.58 id.= 122.10 dev=-26.482 sig.= 1.760 A 251 TYR O - A 252 VAL N mod.= 104.60 id.= 123.47 dev= 18.868 sig.= 1.500 A 252 VAL CA - A 253 PHE N mod.= 100.56 id.= 115.92 dev= 15.353 sig.= 1.500 A 252 VAL HB - A 252 VAL CG1 mod.= 124.09 id.= 107.60 dev=-16.482 sig.= 1.500 A 252 VAL CG1 - A 252 VAL CG2 mod.= 92.85 id.= 110.68 dev= 17.821 sig.= 1.500 A 253 PHE CB - A 253 PHE CD1 mod.= 141.95 id.= 120.97 dev=-20.984 sig.= 1.500 A 253 PHE CG - A 253 PHE HD2 mod.= 103.69 id.= 119.59 dev= 15.904 sig.= 1.500 A 253 PHE CG - A 253 PHE CE2 mod.= 136.52 id.= 120.62 dev=-15.893 sig.= 1.500 A 253 PHE CD1 - A 253 PHE CD2 mod.= 100.88 id.= 118.06 dev= 17.183 sig.= 1.500 A 253 PHE CZ - A 253 PHE CD2 mod.= 99.12 id.= 120.32 dev= 21.204 sig.= 1.500 A 253 PHE CD2 - A 253 PHE HE2 mod.= 140.98 id.= 119.79 dev=-21.188 sig.= 1.500 A 253 PHE O - A 254 PRO N mod.= 104.91 id.= 121.02 dev= 16.103 sig.= 1.530 A 255 CYS N - A 255 CYS CB mod.= 126.40 id.= 110.83 dev=-15.573 sig.= 1.500 A 255 CYS N - A 255 CYS C mod.= 130.07 id.= 109.49 dev=-20.574 sig.= 1.500 A 255 CYS CA - A 256 SER N mod.= 98.05 id.= 115.92 dev= 17.869 sig.= 1.500 A 255 CYS HA - A 255 CYS CB mod.= 86.78 id.= 108.44 dev= 21.664 sig.= 1.500 A 255 CYS SG - A 290 CYS CB mod.= 121.94 id.= 103.80 dev=-18.135 sig.= 1.800 A 256 SER N - A 256 SER C mod.= 93.84 id.= 109.83 dev= 15.985 sig.= 1.500 A 256 SER CA - A 257 ALA N mod.= 149.89 id.= 115.92 dev=-33.972 sig.= 1.500 A 256 SER C - A 257 ALA H mod.= 90.80 id.= 119.18 dev= 28.375 sig.= 1.830 A 256 SER C - A 257 ALA CA mod.= 150.01 id.= 122.10 dev=-27.910 sig.= 1.760 A 256 SER O - A 257 ALA N mod.= 99.73 id.= 123.47 dev= 23.734 sig.= 1.500 A 257 ALA N - A 257 ALA CB mod.= 127.51 id.= 109.91 dev=-17.600 sig.= 1.500 A 257 ALA CB - A 257 ALA C mod.= 92.88 id.= 111.49 dev= 18.612 sig.= 1.500 A 258 THR N - A 258 THR C mod.= 125.42 id.= 109.41 dev=-16.002 sig.= 1.500 A 259 LEU CB - A 259 LEU CD1 mod.= 125.90 id.= 110.88 dev=-15.025 sig.= 1.500 A 259 LEU CD1 - A 259 LEU CD2 mod.= 93.55 id.= 110.51 dev= 16.958 sig.= 1.500 A 262 PHE N - A 262 PHE CB mod.= 91.85 id.= 110.49 dev= 18.648 sig.= 1.500 A 262 PHE N - A 262 PHE C mod.= 93.96 id.= 109.45 dev= 15.487 sig.= 1.500 A 262 PHE CA - A 262 PHE CG mod.= 97.06 id.= 114.75 dev= 17.682 sig.= 1.550 A 262 PHE CA - A 263 THR N mod.= 99.32 id.= 115.92 dev= 16.595 sig.= 1.500 A 262 PHE HA - A 262 PHE CB mod.= 141.80 id.= 108.69 dev=-33.108 sig.= 1.500 A 262 PHE CB - A 262 PHE CD1 mod.= 105.13 id.= 120.97 dev= 15.843 sig.= 1.500 A 262 PHE CG - A 262 PHE HD2 mod.= 144.82 id.= 119.59 dev=-25.229 sig.= 1.500 A 262 PHE CG - A 262 PHE CE2 mod.= 95.41 id.= 120.62 dev= 25.210 sig.= 1.500 A 262 PHE CD1 - A 262 PHE CD2 mod.= 141.56 id.= 118.06 dev=-23.501 sig.= 1.500 A 263 THR CA - A 263 THR CG2 mod.= 133.84 id.= 112.91 dev=-20.933 sig.= 1.500 A 263 THR CA - A 263 THR O mod.= 93.16 id.= 117.00 dev= 23.839 sig.= 1.500 A 263 THR HB - A 263 THR OG1 mod.= 87.37 id.= 108.88 dev= 21.510 sig.= 1.500 A 263 THR C - A 264 PHE H mod.= 140.28 id.= 119.18 dev=-21.100 sig.= 1.830 A 263 THR C - A 264 PHE CA mod.= 100.55 id.= 122.10 dev= 21.549 sig.= 1.760 A 263 THR O - A 264 PHE N mod.= 142.04 id.= 123.47 dev=-18.573 sig.= 1.500 A 264 PHE CG - A 264 PHE CE1 mod.= 100.56 id.= 120.62 dev= 20.064 sig.= 1.500 A 264 PHE CD1 - A 264 PHE CZ mod.= 139.14 id.= 120.32 dev=-18.814 sig.= 1.500 A 264 PHE HD1 - A 264 PHE CE1 mod.= 139.86 id.= 119.79 dev=-20.074 sig.= 1.500 A 264 PHE HE1 - A 264 PHE CZ mod.= 101.10 id.= 119.88 dev= 18.786 sig.= 1.500 A 264 PHE C - A 265 GLY H mod.= 143.42 id.= 119.18 dev=-24.244 sig.= 1.830 A 264 PHE C - A 265 GLY CA mod.= 97.41 id.= 122.10 dev= 24.685 sig.= 1.760 A 266 VAL N - A 266 VAL C mod.= 90.48 id.= 108.76 dev= 18.286 sig.= 1.500 A 266 VAL CA - A 266 VAL CG2 mod.= 88.48 id.= 111.77 dev= 23.288 sig.= 1.500 A 266 VAL HA - A 266 VAL CB mod.= 125.36 id.= 108.63 dev=-16.727 sig.= 1.500 A 266 VAL CB - A 266 VAL C mod.= 95.92 id.= 111.39 dev= 15.463 sig.= 1.500 A 268 SER N - A 268 SER CB mod.= 90.35 id.= 110.99 dev= 20.640 sig.= 1.500 A 268 SER HA - A 268 SER CB mod.= 131.23 id.= 108.52 dev=-22.715 sig.= 1.500 A 270 ARG CA - A 270 ARG O mod.= 95.81 id.= 117.12 dev= 21.314 sig.= 1.500 A 270 ARG CA - A 271 ILE N mod.= 140.16 id.= 115.92 dev=-24.246 sig.= 1.500 A 273 ILE CA - A 274 PRO N mod.= 103.04 id.= 118.42 dev= 15.372 sig.= 1.500 A 273 ILE HA - A 273 ILE CB mod.= 127.02 id.= 108.38 dev=-18.634 sig.= 1.500 A 273 ILE C - A 274 PRO CD mod.= 152.87 id.= 124.00 dev=-28.865 sig.= 1.500 A 274 PRO CA - A 274 PRO CD mod.= 96.48 id.= 112.41 dev= 15.933 sig.= 1.500 A 274 PRO CA - A 275 GLY N mod.= 136.61 id.= 115.92 dev=-20.697 sig.= 1.500 A 274 PRO C - A 275 GLY H mod.= 93.28 id.= 119.18 dev= 25.894 sig.= 1.830 A 274 PRO C - A 275 GLY CA mod.= 147.53 id.= 122.10 dev=-25.437 sig.= 1.760 A 275 GLY CA - A 275 GLY O mod.= 132.45 id.= 117.07 dev=-15.376 sig.= 1.500 A 275 GLY CA - A 276 ASP N mod.= 98.21 id.= 115.92 dev= 17.706 sig.= 1.500 A 276 ASP N - A 276 ASP CB mod.= 94.80 id.= 111.34 dev= 16.542 sig.= 1.500 A 276 ASP HA - A 276 ASP CB mod.= 127.46 id.= 108.67 dev=-18.798 sig.= 1.690 A 277 TYR CZ - A 277 TYR CD2 mod.= 137.62 id.= 119.82 dev=-17.794 sig.= 1.500 A 277 TYR HE2 - A 277 TYR CD2 mod.= 102.35 id.= 120.17 dev= 17.815 sig.= 1.500 A 278 ILE CA - A 279 ASP N mod.= 96.79 id.= 115.92 dev= 19.123 sig.= 1.500 A 279 ASP CA - A 279 ASP CG mod.= 130.66 id.= 113.40 dev=-17.264 sig.= 1.640 A 279 ASP HA - A 279 ASP CB mod.= 128.58 id.= 108.67 dev=-19.918 sig.= 1.690 A 279 ASP CB - A 279 ASP C mod.= 84.39 id.= 111.80 dev= 27.417 sig.= 2.580 A 280 PHE CA - A 280 PHE CG mod.= 91.57 id.= 114.75 dev= 23.170 sig.= 1.550 A 280 PHE C - A 281 GLY CA mod.= 103.83 id.= 122.10 dev= 18.264 sig.= 1.760 A 281 GLY N - A 281 GLY C mod.= 129.32 id.= 111.72 dev=-17.596 sig.= 1.500 A 282 PRO CA - A 282 PRO CD mod.= 134.95 id.= 112.41 dev=-22.537 sig.= 1.500 A 282 PRO HA - A 282 PRO CB mod.= 130.41 id.= 109.39 dev=-21.018 sig.= 1.500 A 283 ILE N - A 283 ILE CB mod.= 131.36 id.= 110.82 dev=-20.538 sig.= 1.500 A 283 ILE CA - A 284 SER N mod.= 95.43 id.= 115.92 dev= 20.485 sig.= 1.500 A 283 ILE HB - A 283 ILE CG1 mod.= 126.23 id.= 107.40 dev=-18.832 sig.= 1.500 A 283 ILE CG1 - A 283 ILE CG2 mod.= 96.09 id.= 111.78 dev= 15.688 sig.= 1.500 A 283 ILE C - A 284 SER CA mod.= 104.13 id.= 122.10 dev= 17.966 sig.= 1.760 A 283 ILE O - A 284 SER N mod.= 141.45 id.= 123.47 dev=-17.977 sig.= 1.500 A 284 SER N - A 284 SER CB mod.= 133.90 id.= 110.99 dev=-22.910 sig.= 1.500 A 284 SER CB - A 284 SER C mod.= 96.11 id.= 111.38 dev= 15.268 sig.= 1.500 A 284 SER O - A 285 THR N mod.= 142.39 id.= 123.47 dev=-18.920 sig.= 1.500 A 285 THR CA - A 285 THR O mod.= 97.72 id.= 117.00 dev= 19.288 sig.= 1.500 A 285 THR O - A 286 GLY N mod.= 141.07 id.= 123.47 dev=-17.604 sig.= 1.500 A 287 SER N - A 287 SER C mod.= 94.36 id.= 109.83 dev= 15.470 sig.= 1.500 A 289 SER N - A 289 SER CB A mod.= 127.63 id.= 110.99 dev=-16.644 sig.= 1.500 A 289 SER N - A 289 SER CB B mod.= 92.40 id.= 110.99 dev= 18.592 sig.= 1.500 A 289 SER H - A 289 SER CA B mod.= 141.33 id.= 109.62 dev=-31.711 sig.= 1.500 A 289 SER CA A - A 290 CYS N mod.= 136.00 id.= 115.92 dev=-20.087 sig.= 1.500 A 289 SER HA B - A 289 SER CB B mod.= 138.03 id.= 108.52 dev=-29.508 sig.= 1.500 A 289 SER O - A 290 CYS N mod.= 102.57 id.= 123.47 dev= 20.903 sig.= 1.500 A 290 CYS CA - A 290 CYS O mod.= 139.95 id.= 117.13 dev=-22.817 sig.= 1.500 A 290 CYS O - A 291 PHE N mod.= 105.75 id.= 123.47 dev= 17.715 sig.= 1.500 A 291 PHE CB - A 291 PHE CD1 mod.= 141.92 id.= 120.97 dev=-20.953 sig.= 1.500 A 291 PHE CG - A 291 PHE CE1 mod.= 155.98 id.= 120.62 dev=-35.356 sig.= 1.500 A 291 PHE CD1 - A 291 PHE CD2 mod.= 102.23 id.= 118.06 dev= 15.829 sig.= 1.500 A 291 PHE HD1 - A 291 PHE CE1 mod.= 84.43 id.= 119.79 dev= 35.359 sig.= 1.500 A 293 GLY N - A 293 GLY C mod.= 138.07 id.= 111.72 dev=-26.349 sig.= 1.500 A 293 GLY CA - A 293 GLY O mod.= 153.39 id.= 117.07 dev=-36.320 sig.= 1.500 A 293 GLY CA - A 294 ILE N mod.= 99.12 id.= 115.92 dev= 16.796 sig.= 1.500 A 293 GLY O - A 294 ILE N mod.= 105.08 id.= 123.47 dev= 18.390 sig.= 1.500 A 294 ILE CA - A 294 ILE CG2 mod.= 126.72 id.= 110.78 dev=-15.942 sig.= 1.500 A 294 ILE CA - A 294 ILE O mod.= 146.53 id.= 117.13 dev=-29.397 sig.= 1.500 A 294 ILE HB - A 294 ILE CG1 mod.= 82.67 id.= 107.40 dev= 24.728 sig.= 1.500 A 295 GLN N - A 295 GLN CB mod.= 130.18 id.= 110.37 dev=-19.803 sig.= 1.620 A 295 GLN CA - A 296 SER N mod.= 135.33 id.= 115.92 dev=-19.417 sig.= 1.500 A 295 GLN CB - A 295 GLN CD mod.= 82.17 id.= 112.22 dev= 30.046 sig.= 2.150 A 295 GLN CG - A 295 GLN OE1 mod.= 144.75 id.= 121.40 dev=-23.350 sig.= 1.500 A 295 GLN O - A 296 SER N mod.= 102.07 id.= 123.47 dev= 21.398 sig.= 1.500 A 297 SER N - A 297 SER CB mod.= 88.30 id.= 110.99 dev= 22.692 sig.= 1.500 A 297 SER CA - A 297 SER OG mod.= 131.55 id.= 110.82 dev=-20.730 sig.= 1.500 A 297 SER CB - A 297 SER C mod.= 126.41 id.= 111.38 dev=-15.028 sig.= 1.500 A 297 SER C - A 298 ALA CA A mod.= 104.22 id.= 122.10 dev= 17.877 sig.= 1.760 A 298 ALA N B - A 298 ALA C B mod.= 93.82 id.= 109.63 dev= 15.804 sig.= 1.500 A 298 ALA CA B - A 298 ALA O B mod.= 99.49 id.= 117.16 dev= 17.665 sig.= 1.570 A 298 ALA CA B - A 299 GLY N B mod.= 131.09 id.= 115.92 dev=-15.173 sig.= 1.500 A 298 ALA HA B - A 298 ALA CB B mod.= 127.76 id.= 108.88 dev=-18.881 sig.= 1.500 A 298 ALA O A - A 299 GLY N A mod.= 139.53 id.= 123.47 dev=-16.060 sig.= 1.500 A 299 GLY N A - A 299 GLY C A mod.= 94.21 id.= 111.72 dev= 17.511 sig.= 1.500 A 299 GLY CA A - A 299 GLY O A mod.= 95.75 id.= 117.07 dev= 21.326 sig.= 1.500 A 299 GLY CA B - A 299 GLY O B mod.= 142.05 id.= 117.07 dev=-24.976 sig.= 1.500 A 299 GLY CA B - A 300 ILE N mod.= 100.65 id.= 115.92 dev= 15.272 sig.= 1.500 A 300 ILE CB - A 300 ILE CD1 mod.= 94.15 id.= 113.96 dev= 19.817 sig.= 1.500 A 300 ILE CG1 - A 300 ILE CG2 mod.= 127.14 id.= 111.78 dev=-15.362 sig.= 1.500 A 300 ILE O - A 301 GLY N mod.= 96.28 id.= 123.47 dev= 27.190 sig.= 1.500 A 302 ILE N - A 302 ILE C mod.= 87.10 id.= 108.76 dev= 21.661 sig.= 1.500 A 302 ILE CA - A 302 ILE CG2 mod.= 129.09 id.= 110.78 dev=-18.308 sig.= 1.500 A 302 ILE HA - A 302 ILE CB mod.= 127.44 id.= 108.38 dev=-19.052 sig.= 1.500 A 302 ILE C - A 303 ASN H mod.= 90.68 id.= 119.18 dev= 28.496 sig.= 1.830 A 302 ILE C - A 303 ASN CA mod.= 150.14 id.= 122.10 dev=-28.045 sig.= 1.760 A 302 ILE O - A 303 ASN N mod.= 97.32 id.= 123.47 dev= 26.151 sig.= 1.500 A 303 ASN CA - A 303 ASN CG mod.= 144.41 id.= 112.98 dev=-31.428 sig.= 1.500 A 303 ASN HA - A 303 ASN CB mod.= 80.06 id.= 107.98 dev= 27.928 sig.= 1.500 A 303 ASN CB - A 303 ASN ND2 mod.= 133.29 id.= 116.82 dev=-16.466 sig.= 1.500 A 303 ASN HB3 - A 303 ASN CG mod.= 91.31 id.= 109.08 dev= 17.765 sig.= 1.500 A 303 ASN HB2 - A 303 ASN CG mod.= 91.31 id.= 109.08 dev= 17.768 sig.= 1.500 A 303 ASN OD1 - A 303 ASN ND2 mod.= 102.68 id.= 122.57 dev= 19.883 sig.= 1.500 A 304 ILE N - A 304 ILE C mod.= 131.90 id.= 108.76 dev=-23.134 sig.= 1.500 A 304 ILE CA - A 304 ILE CG2 mod.= 95.24 id.= 110.78 dev= 15.540 sig.= 1.500 A 304 ILE CA - A 304 ILE O mod.= 137.10 id.= 117.13 dev=-19.969 sig.= 1.500 A 304 ILE C - A 305 PHE H mod.= 138.00 id.= 119.18 dev=-18.828 sig.= 1.830 A 304 ILE C - A 305 PHE CA mod.= 102.80 id.= 122.10 dev= 19.294 sig.= 1.760 A 305 PHE N - A 305 PHE CB mod.= 94.74 id.= 110.49 dev= 15.756 sig.= 1.500 A 305 PHE CA - A 305 PHE CG mod.= 133.51 id.= 114.75 dev=-18.761 sig.= 1.550 A 305 PHE O - A 306 GLY N mod.= 141.63 id.= 123.47 dev=-18.157 sig.= 1.500 A 306 GLY CA - A 306 GLY O mod.= 138.05 id.= 117.07 dev=-20.975 sig.= 1.500 A 307 ASP CA - A 307 ASP O mod.= 100.31 id.= 117.12 dev= 16.815 sig.= 1.500 A 307 ASP HA - A 307 ASP CB mod.= 127.13 id.= 108.67 dev=-18.463 sig.= 1.690 A 307 ASP CB - A 307 ASP OD2 mod.= 148.56 id.= 117.99 dev=-30.573 sig.= 1.500 A 307 ASP OD1 - A 307 ASP OD2 mod.= 105.00 id.= 124.03 dev= 19.029 sig.= 1.500 A 308 VAL CA - A 308 VAL CG2 mod.= 95.36 id.= 111.77 dev= 16.408 sig.= 1.500 A 309 ALA N - A 309 ALA CB mod.= 128.35 id.= 109.91 dev=-18.442 sig.= 1.500 A 310 LEU HA - A 310 LEU CB mod.= 93.94 id.= 109.55 dev= 15.613 sig.= 1.500 A 310 LEU C - A 311 LYS H B mod.= 94.68 id.= 119.18 dev= 24.496 sig.= 1.830 A 310 LEU C - A 311 LYS CA B mod.= 146.13 id.= 122.10 dev=-24.031 sig.= 1.760 A 310 LEU O - A 311 LYS N B mod.= 99.08 id.= 123.47 dev= 24.388 sig.= 1.500 A 311 LYS N B - A 311 LYS CB B mod.= 131.08 id.= 110.37 dev=-20.705 sig.= 1.620 A 311 LYS CA A - A 312 ALA N mod.= 140.99 id.= 115.92 dev=-25.073 sig.= 1.500 A 311 LYS CA B - A 312 ALA N mod.= 143.97 id.= 115.92 dev=-28.057 sig.= 1.500 A 311 LYS HA B - A 311 LYS CB B mod.= 93.29 id.= 108.97 dev= 15.678 sig.= 1.500 A 311 LYS CG B - A 311 LYS CE B mod.= 135.21 id.= 113.07 dev=-22.132 sig.= 1.980 A 311 LYS C A - A 312 ALA H mod.= 81.15 id.= 119.18 dev= 38.031 sig.= 1.830 A 311 LYS C A - A 312 ALA CA mod.= 154.46 id.= 122.10 dev=-32.362 sig.= 1.760 A 311 LYS C B - A 312 ALA H mod.= 78.51 id.= 119.18 dev= 40.661 sig.= 1.830 A 311 LYS C B - A 312 ALA CA mod.= 162.28 id.= 122.10 dev=-40.188 sig.= 1.760 A 311 LYS O B - A 312 ALA N mod.= 104.89 id.= 123.47 dev= 18.576 sig.= 1.500 A 312 ALA N - A 312 ALA CB mod.= 148.95 id.= 109.91 dev=-39.035 sig.= 1.500 A 312 ALA CA - A 313 ALA N mod.= 93.77 id.= 115.92 dev= 22.145 sig.= 1.500 A 312 ALA HA - A 312 ALA CB mod.= 76.97 id.= 108.88 dev= 31.909 sig.= 1.500 A 312 ALA O - A 313 ALA N mod.= 142.59 id.= 123.47 dev=-19.119 sig.= 1.500 A 313 ALA HA - A 313 ALA CB mod.= 89.29 id.= 108.88 dev= 19.584 sig.= 1.500 A 313 ALA CB - A 313 ALA C mod.= 130.20 id.= 111.49 dev=-18.712 sig.= 1.500 A 313 ALA O - A 314 PHE N mod.= 152.59 id.= 123.47 dev=-29.123 sig.= 1.500 A 314 PHE CB - A 314 PHE CD2 mod.= 147.57 id.= 120.97 dev=-26.605 sig.= 1.500 A 314 PHE CG - A 314 PHE CE1 mod.= 135.90 id.= 120.62 dev=-15.280 sig.= 1.500 A 314 PHE CG - A 314 PHE HD2 mod.= 87.01 id.= 119.59 dev= 32.586 sig.= 1.500 A 314 PHE CG - A 314 PHE CE2 mod.= 153.19 id.= 120.62 dev=-32.562 sig.= 1.500 A 314 PHE CD1 - A 314 PHE CD2 mod.= 95.07 id.= 118.06 dev= 22.988 sig.= 1.500 A 314 PHE CD1 - A 314 PHE CZ mod.= 104.66 id.= 120.32 dev= 15.664 sig.= 1.500 A 314 PHE HD1 - A 314 PHE CE1 mod.= 104.51 id.= 119.79 dev= 15.277 sig.= 1.500 A 314 PHE HE1 - A 314 PHE CZ mod.= 135.56 id.= 119.88 dev=-15.673 sig.= 1.500 A 314 PHE CZ - A 314 PHE CD2 mod.= 98.31 id.= 120.32 dev= 22.016 sig.= 1.500 A 314 PHE CD2 - A 314 PHE HE2 mod.= 141.79 id.= 119.79 dev=-21.997 sig.= 1.500 A 315 VAL CA - A 315 VAL CG2 mod.= 91.63 id.= 111.77 dev= 20.145 sig.= 1.500 A 316 VAL CA - A 316 VAL CG1 mod.= 132.01 id.= 111.77 dev=-20.236 sig.= 1.500 A 316 VAL HB - A 316 VAL CG1 mod.= 81.56 id.= 107.60 dev= 26.043 sig.= 1.500 A 317 PHE N - A 317 PHE CB mod.= 128.58 id.= 110.49 dev=-18.091 sig.= 1.500 A 317 PHE HA - A 317 PHE CB mod.= 89.98 id.= 108.69 dev= 18.713 sig.= 1.500 A 317 PHE CB - A 317 PHE CD1 mod.= 103.94 id.= 120.97 dev= 17.028 sig.= 1.500 A 317 PHE CG - A 317 PHE CE1 mod.= 101.15 id.= 120.62 dev= 19.470 sig.= 1.500 A 317 PHE HD1 - A 317 PHE CE1 mod.= 139.28 id.= 119.79 dev=-19.495 sig.= 1.500 A 318 ASN CB - A 318 ASN ND2 mod.= 101.67 id.= 116.82 dev= 15.154 sig.= 1.500 A 318 ASN O - A 319 GLY N mod.= 107.35 id.= 123.47 dev= 16.123 sig.= 1.500 A 320 ALA N - A 320 ALA C mod.= 88.05 id.= 109.63 dev= 21.578 sig.= 1.500 A 320 ALA CA - A 320 ALA O mod.= 140.77 id.= 117.16 dev=-23.607 sig.= 1.570 A 320 ALA O - A 321 THR N mod.= 105.35 id.= 123.47 dev= 18.116 sig.= 1.500 A 321 THR HB - A 321 THR OG1 mod.= 93.84 id.= 108.88 dev= 15.041 sig.= 1.500 A 321 THR C - A 322 THR H mod.= 86.88 id.= 119.18 dev= 32.300 sig.= 1.830 A 321 THR C - A 322 THR CA mod.= 153.92 id.= 122.10 dev=-31.824 sig.= 1.760 A 322 THR CA - A 322 THR O mod.= 105.27 id.= 120.61 dev= 15.340 sig.= 1.500 A 322 THR HA - A 322 THR CB mod.= 91.28 id.= 108.62 dev= 17.343 sig.= 1.500 A 323 PRO HA A - A 323 PRO CB A mod.= 131.56 id.= 109.39 dev=-22.171 sig.= 1.500 A 323 PRO HA B - A 323 PRO CB B mod.= 139.14 id.= 109.39 dev=-29.750 sig.= 1.500 A 323 PRO O - A 324 THR N mod.= 145.54 id.= 123.47 dev=-22.070 sig.= 1.500 A 324 THR N - A 324 THR CB mod.= 126.92 id.= 111.13 dev=-15.792 sig.= 1.500 A 324 THR CA - A 324 THR CG2 mod.= 93.64 id.= 112.91 dev= 19.268 sig.= 1.500 A 324 THR CA - A 325 LEU N mod.= 135.17 id.= 115.92 dev=-19.254 sig.= 1.500 A 325 LEU N - A 325 LEU C mod.= 91.98 id.= 109.24 dev= 17.263 sig.= 1.500 A 325 LEU N - A 325 LEU C mod.= 92.69 id.= 109.24 dev= 16.549 sig.= 1.500 A 325 LEU CA A - A 325 LEU CG A mod.= 98.09 id.= 115.44 dev= 17.353 sig.= 1.500 A 325 LEU CA B - A 325 LEU CG B mod.= 131.46 id.= 115.44 dev=-16.016 sig.= 1.500 A 325 LEU CB A - A 325 LEU CD1 A mod.= 95.23 id.= 110.88 dev= 15.649 sig.= 1.500 A 325 LEU HG A - A 325 LEU CD1 A mod.= 141.03 id.= 108.05 dev=-32.979 sig.= 1.500 A 325 LEU CD1 A - A 325 LEU CD2 A mod.= 90.07 id.= 110.51 dev= 20.434 sig.= 1.500 A 325 LEU O - A 326 GLY N mod.= 139.15 id.= 123.47 dev=-15.676 sig.= 1.500 A 327 PHE N - A 327 PHE C mod.= 92.48 id.= 109.45 dev= 16.972 sig.= 1.500 A 327 PHE CB - A 327 PHE CD2 mod.= 101.22 id.= 120.97 dev= 19.749 sig.= 1.500 A 327 PHE CD1 - A 327 PHE CD2 mod.= 144.33 id.= 118.06 dev=-26.272 sig.= 1.500 A 327 PHE CD1 - A 327 PHE CZ mod.= 103.40 id.= 120.32 dev= 16.925 sig.= 1.500 A 327 PHE HE1 - A 327 PHE CZ mod.= 136.77 id.= 119.88 dev=-16.888 sig.= 1.500 A 327 PHE O - A 328 ALA N mod.= 106.17 id.= 123.47 dev= 17.302 sig.= 1.500 A 328 ALA N - A 328 ALA CB mod.= 126.89 id.= 109.91 dev=-16.980 sig.= 1.500 A 328 ALA CA - A 328 ALA O mod.= 133.48 id.= 117.16 dev=-16.319 sig.= 1.570 A 329 SER CA A - A 329 SER OG A mod.= 90.51 id.= 110.82 dev= 20.313 sig.= 1.500 A 329 SER CA A - A 329 SER O A mod.= 134.73 id.= 117.18 dev=-17.546 sig.= 1.500 A 329 SER CA B - A 329 SER O B mod.= 133.09 id.= 117.18 dev=-15.907 sig.= 1.500 A 329 SER CA B - A 330 LYS N mod.= 91.81 id.= 115.92 dev= 24.109 sig.= 1.500 A 329 SER C A - A 330 LYS H mod.= 138.34 id.= 119.18 dev=-19.162 sig.= 1.830 A 329 SER C A - A 330 LYS CA mod.= 101.95 id.= 122.10 dev= 20.141 sig.= 1.760 A 329 SER C B - A 330 LYS H mod.= 145.85 id.= 119.18 dev=-26.671 sig.= 1.830 A 329 SER C B - A 330 LYS CA mod.= 94.95 id.= 122.10 dev= 27.147 sig.= 1.760 A 330 LYS CD - A 330 LYS NZ mod.= 142.34 id.= 111.73 dev=-30.602 sig.= 1.840 A 330 LYS HE3 - A 330 LYS NZ mod.= 91.76 id.= 108.99 dev= 17.233 sig.= 1.500 A 330 LYS HE2 - A 330 LYS NZ mod.= 91.76 id.= 108.99 dev= 17.230 sig.= 1.500 **** Chiral volume outliers **** Chiral volume deviations from the ideal >10.000Sigma will be monitored A 110 LYS CA mod.= 5.03 id.= 2.61 dev= -2.422 sig.= 0.200 A 130 PHE CA mod.= 4.61 id.= 2.59 dev= -2.026 sig.= 0.200 A 183 ILE CA mod.= 4.81 id.= 2.61 dev= -2.195 sig.= 0.200 A 262 PHE CA mod.= 5.42 id.= 2.59 dev= -2.834 sig.= 0.200 **** Large deviation of atoms from planarity **** Deviations from the planarity >10.000Sigma will be monitored Atom: A 10 ILE C deviation= 0.23 sigma.= 0.02 Atom: A 17 TYR CB deviation= 0.32 sigma.= 0.02 Atom: A 17 TYR CG deviation= 0.31 sigma.= 0.02 Atom: A 17 TYR HD1 deviation= -0.27 sigma.= 0.02 Atom: A 17 TYR HD2 deviation= -0.51 sigma.= 0.02 Atom: A 17 TYR HE2 deviation= 0.32 sigma.= 0.02 Atom: A 19 THR C deviation= -0.25 sigma.= 0.02 Atom: A 21 VAL C deviation= 0.20 sigma.= 0.02 Atom: A 22 GLN C deviation= -0.25 sigma.= 0.02 Atom: A 25 THR C deviation= -0.28 sigma.= 0.02 Atom: A 27 ALA C deviation= 0.22 sigma.= 0.02 Atom: A 32 LEU C deviation= 0.22 sigma.= 0.02 Atom: A 34 PHE C deviation= -0.25 sigma.= 0.02 Atom: A 35 ASP C deviation= -0.20 sigma.= 0.02 Atom: A 42 TRP CB deviation= 0.33 sigma.= 0.02 Atom: A 42 TRP HD1 deviation= -0.21 sigma.= 0.02 Atom: A 42 TRP HH2 deviation= -0.70 sigma.= 0.02 Atom: A 42 TRP HE3 deviation= -0.40 sigma.= 0.02 Atom: A 42 TRP HZ3 deviation= 0.46 sigma.= 0.02 Atom: A 42 TRP HZ2 deviation= 0.37 sigma.= 0.02 Atom: A 44 PHE CB deviation= -0.22 sigma.= 0.02 Atom: A 44 PHE HD2 deviation= -0.25 sigma.= 0.02 Atom: A 44 PHE HE2 deviation= 0.45 sigma.= 0.02 Atom: A 44 PHE HZ deviation= -0.36 sigma.= 0.02 Atom: A 45 SER C deviation= -0.20 sigma.= 0.02 Atom: A 54 ASP C deviation= -0.27 sigma.= 0.02 Atom: A 54 ASP C deviation= -0.26 sigma.= 0.02 Atom: A 56 GLN C deviation= 0.23 sigma.= 0.02 Atom: A 58 ILE C deviation= 0.31 sigma.= 0.02 Atom: A 59 TYR CG deviation= -0.24 sigma.= 0.02 Atom: A 59 TYR HD2 deviation= 0.42 sigma.= 0.02 Atom: A 59 TYR HE2 deviation= -0.40 sigma.= 0.02 Atom: A 65 THR C deviation= -0.23 sigma.= 0.02 Atom: A 71 SER C deviation= -0.26 sigma.= 0.02 Atom: A 75 TRP NE1 deviation= -0.22 sigma.= 0.02 Atom: A 75 TRP HD1 deviation= 0.30 sigma.= 0.02 Atom: A 75 TRP HE1 deviation= -0.47 sigma.= 0.02 Atom: A 75 TRP HZ3 deviation= -0.22 sigma.= 0.02 Atom: A 75 TRP HZ2 deviation= 0.37 sigma.= 0.02 Atom: A 79 TYR CB deviation= 0.22 sigma.= 0.02 Atom: A 79 TYR HE2 deviation= 0.23 sigma.= 0.02 Atom: A 89 VAL C deviation= -0.29 sigma.= 0.02 Atom: A 90 TYR CB deviation= 0.20 sigma.= 0.02 Atom: A 90 TYR HD1 deviation= -0.22 sigma.= 0.02 Atom: A 94 VAL C deviation= -0.20 sigma.= 0.02 Atom: A 97 GLY C deviation= -0.26 sigma.= 0.02 Atom: A 98 GLY C deviation= -0.23 sigma.= 0.02 Atom: A 99 LEU C deviation= -0.21 sigma.= 0.02 Atom: A 105 ALA C deviation= 0.21 sigma.= 0.02 Atom: A 117 THR C deviation= -0.25 sigma.= 0.02 Atom: A 118 GLU C deviation= 0.20 sigma.= 0.02 Atom: A 120 SER C deviation= -0.26 sigma.= 0.02 Atom: A 130 PHE CD2 deviation= 0.23 sigma.= 0.02 Atom: A 130 PHE CE2 deviation= -0.29 sigma.= 0.02 Atom: A 130 PHE CG deviation= 0.22 sigma.= 0.02 Atom: A 130 PHE HD1 deviation= -0.37 sigma.= 0.02 Atom: A 130 PHE HD2 deviation= 0.62 sigma.= 0.02 Atom: A 130 PHE HE2 deviation= -0.87 sigma.= 0.02 Atom: A 130 PHE HZ deviation= 0.39 sigma.= 0.02 Atom: A 141 GLN C deviation= -0.21 sigma.= 0.02 Atom: A 144 PHE CG deviation= 0.21 sigma.= 0.02 Atom: A 144 PHE HD2 deviation= -0.27 sigma.= 0.02 Atom: A 144 PHE HE2 deviation= 0.28 sigma.= 0.02 Atom: A 144 PHE HZ deviation= -0.26 sigma.= 0.02 Atom: A 145 PHE CG deviation= -0.46 sigma.= 0.02 Atom: A 145 PHE HD1 deviation= 0.37 sigma.= 0.02 Atom: A 145 PHE HE1 deviation= -0.30 sigma.= 0.02 Atom: A 146 ASP CG B deviation= 0.25 sigma.= 0.02 Atom: A 146 ASP C deviation= -0.22 sigma.= 0.02 Atom: A 146 ASP C deviation= -0.22 sigma.= 0.02 Atom: A 148 ALA C deviation= -0.26 sigma.= 0.02 Atom: A 156 VAL C deviation= 0.27 sigma.= 0.02 Atom: A 157 PHE HD2 deviation= -0.23 sigma.= 0.02 Atom: A 157 PHE HE2 deviation= 0.31 sigma.= 0.02 Atom: A 157 PHE HZ deviation= -0.35 sigma.= 0.02 Atom: A 163 TYR CB deviation= -0.38 sigma.= 0.02 Atom: A 163 TYR CD1 deviation= 0.26 sigma.= 0.02 Atom: A 163 TYR CG deviation= -0.43 sigma.= 0.02 Atom: A 163 TYR HD1 deviation= 0.78 sigma.= 0.02 Atom: A 163 TYR HE1 deviation= -0.44 sigma.= 0.02 Atom: A 163 TYR HE2 deviation= 0.42 sigma.= 0.02 Atom: A 164 HIS C deviation= 0.21 sigma.= 0.02 Atom: A 166 PRO C deviation= 0.24 sigma.= 0.02 Atom: A 169 TYR CG deviation= -0.21 sigma.= 0.02 Atom: A 169 TYR CZ deviation= -0.29 sigma.= 0.02 Atom: A 169 TYR HE1 deviation= 0.39 sigma.= 0.02 Atom: A 169 TYR HE2 deviation= 0.37 sigma.= 0.02 Atom: A 169 TYR OH deviation= -0.34 sigma.= 0.02 Atom: A 171 PHE HE1 deviation= 0.22 sigma.= 0.02 Atom: A 171 PHE HZ deviation= -0.31 sigma.= 0.02 Atom: A 173 PHE HD1 deviation= -0.26 sigma.= 0.02 Atom: A 173 PHE HE1 deviation= 0.52 sigma.= 0.02 Atom: A 173 PHE HE2 deviation= 0.34 sigma.= 0.02 Atom: A 173 PHE HZ deviation= -0.63 sigma.= 0.02 Atom: A 177 THR C deviation= 0.26 sigma.= 0.02 Atom: A 185 TYR CB deviation= -0.21 sigma.= 0.02 Atom: A 185 TYR CZ deviation= 0.41 sigma.= 0.02 Atom: A 185 TYR HD2 deviation= 0.33 sigma.= 0.02 Atom: A 185 TYR HE2 deviation= -0.45 sigma.= 0.02 Atom: A 186 THR C deviation= 0.23 sigma.= 0.02 Atom: A 187 ALA C deviation= 0.21 sigma.= 0.02 Atom: A 194 PHE CG deviation= -0.35 sigma.= 0.02 Atom: A 194 PHE HD1 deviation= 0.51 sigma.= 0.02 Atom: A 194 PHE HE1 deviation= -0.22 sigma.= 0.02 Atom: A 194 PHE HE2 deviation= 0.25 sigma.= 0.02 Atom: A 195 TRP CG deviation= -0.24 sigma.= 0.02 Atom: A 195 TRP HD1 deviation= 0.22 sigma.= 0.02 Atom: A 195 TRP HZ2 deviation= -0.35 sigma.= 0.02 Atom: A 197 TRP CE2 deviation= -0.28 sigma.= 0.02 Atom: A 197 TRP HD1 deviation= -0.24 sigma.= 0.02 Atom: A 197 TRP HE1 deviation= 0.36 sigma.= 0.02 Atom: A 197 TRP HH2 deviation= -0.62 sigma.= 0.02 Atom: A 197 TRP HZ3 deviation= 0.41 sigma.= 0.02 Atom: A 197 TRP HZ2 deviation= 0.32 sigma.= 0.02 Atom: A 199 SER C deviation= -0.26 sigma.= 0.02 Atom: A 202 TYR CB deviation= -0.40 sigma.= 0.02 Atom: A 202 TYR HD1 deviation= 0.47 sigma.= 0.02 Atom: A 202 TYR HD2 deviation= 0.24 sigma.= 0.02 Atom: A 202 TYR HE1 deviation= -0.33 sigma.= 0.02 Atom: A 209 PHE CB deviation= -0.48 sigma.= 0.02 Atom: A 209 PHE CG deviation= -0.28 sigma.= 0.02 Atom: A 209 PHE CZ deviation= -0.21 sigma.= 0.02 Atom: A 209 PHE HD1 deviation= 0.48 sigma.= 0.02 Atom: A 209 PHE HD2 deviation= 0.29 sigma.= 0.02 Atom: A 209 PHE HE2 deviation= 0.34 sigma.= 0.02 Atom: A 209 PHE HZ deviation= -0.60 sigma.= 0.02 Atom: A 214 ILE C deviation= 0.29 sigma.= 0.02 Atom: A 226 TYR CB deviation= -0.26 sigma.= 0.02 Atom: A 226 TYR CG deviation= -0.26 sigma.= 0.02 Atom: A 226 TYR HD1 deviation= 0.66 sigma.= 0.02 Atom: A 226 TYR HD2 deviation= 0.38 sigma.= 0.02 Atom: A 226 TYR HE1 deviation= -0.39 sigma.= 0.02 Atom: A 226 TYR HE2 deviation= -0.36 sigma.= 0.02 Atom: A 226 TYR OH deviation= 0.40 sigma.= 0.02 Atom: A 230 THR C deviation= -0.22 sigma.= 0.02 Atom: A 235 TYR CG deviation= -0.35 sigma.= 0.02 Atom: A 235 TYR CZ deviation= 0.26 sigma.= 0.02 Atom: A 235 TYR HD1 deviation= 0.25 sigma.= 0.02 Atom: A 235 TYR HD2 deviation= 0.37 sigma.= 0.02 Atom: A 235 TYR HE1 deviation= -0.34 sigma.= 0.02 Atom: A 235 TYR HE2 deviation= -0.54 sigma.= 0.02 Atom: A 235 TYR OH deviation= 0.37 sigma.= 0.02 Atom: A 236 TRP HD1 deviation= 0.45 sigma.= 0.02 Atom: A 236 TRP HE1 deviation= -0.25 sigma.= 0.02 Atom: A 236 TRP HH2 deviation= 0.54 sigma.= 0.02 Atom: A 236 TRP HZ2 deviation= -0.52 sigma.= 0.02 Atom: A 247 SER C deviation= 0.25 sigma.= 0.02 Atom: A 251 TYR CE1 deviation= -0.22 sigma.= 0.02 Atom: A 251 TYR HD1 deviation= 0.58 sigma.= 0.02 Atom: A 251 TYR HD2 deviation= -0.37 sigma.= 0.02 Atom: A 251 TYR HE1 deviation= -0.49 sigma.= 0.02 Atom: A 251 TYR HE2 deviation= 0.69 sigma.= 0.02 Atom: A 253 PHE HD1 deviation= 0.23 sigma.= 0.02 Atom: A 253 PHE HD2 deviation= -0.43 sigma.= 0.02 Atom: A 253 PHE HE2 deviation= 0.39 sigma.= 0.02 Atom: A 261 SER C deviation= -0.22 sigma.= 0.02 Atom: A 262 PHE HD1 deviation= 0.42 sigma.= 0.02 Atom: A 262 PHE HE1 deviation= -0.38 sigma.= 0.02 Atom: A 262 PHE HZ deviation= 0.30 sigma.= 0.02 Atom: A 262 PHE C deviation= -0.22 sigma.= 0.02 Atom: A 264 PHE HD1 deviation= 0.34 sigma.= 0.02 Atom: A 264 PHE HE1 deviation= -0.51 sigma.= 0.02 Atom: A 264 PHE HZ deviation= 0.32 sigma.= 0.02 Atom: A 268 SER C deviation= -0.27 sigma.= 0.02 Atom: A 270 ARG CZ deviation= -0.34 sigma.= 0.02 Atom: A 270 ARG HH11 deviation= 0.33 sigma.= 0.02 Atom: A 270 ARG HH21 deviation= 0.36 sigma.= 0.02 Atom: A 271 ILE C deviation= 0.22 sigma.= 0.02 Atom: A 277 TYR CZ deviation= 0.23 sigma.= 0.02 Atom: A 280 PHE HD1 deviation= -0.28 sigma.= 0.02 Atom: A 280 PHE HE1 deviation= 0.29 sigma.= 0.02 Atom: A 286 GLY C deviation= -0.20 sigma.= 0.02 Atom: A 291 PHE HE2 deviation= -0.27 sigma.= 0.02 Atom: A 291 PHE HZ deviation= 0.23 sigma.= 0.02 Atom: A 296 SER C deviation= -0.21 sigma.= 0.02 Atom: A 302 ILE C deviation= 0.28 sigma.= 0.02 Atom: A 303 ASN CG deviation= 0.21 sigma.= 0.02 Atom: A 305 PHE CG deviation= -0.22 sigma.= 0.02 Atom: A 305 PHE HE1 deviation= 0.25 sigma.= 0.02 Atom: A 305 PHE HE2 deviation= 0.52 sigma.= 0.02 Atom: A 305 PHE HZ deviation= -0.52 sigma.= 0.02 Atom: A 314 PHE HD1 deviation= 0.39 sigma.= 0.02 Atom: A 314 PHE HE1 deviation= -0.45 sigma.= 0.02 Atom: A 314 PHE HZ deviation= 0.32 sigma.= 0.02 Atom: A 317 PHE CB deviation= -0.20 sigma.= 0.02 Atom: A 317 PHE CG deviation= -0.20 sigma.= 0.02 Atom: A 317 PHE CZ deviation= 0.20 sigma.= 0.02 Atom: A 317 PHE HD1 deviation= 0.38 sigma.= 0.02 Atom: A 317 PHE HD2 deviation= 0.42 sigma.= 0.02 Atom: A 317 PHE HE1 deviation= -0.58 sigma.= 0.02 Atom: A 317 PHE HE2 deviation= -0.50 sigma.= 0.02 Atom: A 317 PHE HZ deviation= 0.55 sigma.= 0.02 Atom: A 327 PHE HD1 deviation= -0.34 sigma.= 0.02 Atom: A 327 PHE HD2 deviation= 0.37 sigma.= 0.02 Atom: A 327 PHE HE1 deviation= 0.43 sigma.= 0.02 Atom: A 327 PHE HZ deviation= -0.29 sigma.= 0.02 **** VDW outliers **** VDW deviations from the ideal >10.000Sigma or dist < 1.000 will be monitored A 163 TYR C . - A 164 HIS H2 . mod.= 0.990 id.= 2.950 dev= -1.96 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 A 173 PHE C . - A 174 ILE H . mod.= 0.881 id.= 2.950 dev= -2.07 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 A 176 THR C . - A 177 THR H2 . mod.= 0.876 id.= 2.950 dev= -2.07 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 A 191 LYS C . - A 192 GLN H3 . mod.= 0.886 id.= 2.950 dev= -2.06 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 A 192 GLN C . - A 193 GLY H . mod.= 0.981 id.= 2.950 dev= -1.97 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 A 294 ILE C . - A 295 GLN H . mod.= 0.960 id.= 2.950 dev= -1.99 sig.= 0.20 sym.= 1 0 0 0 ncs 1 type = 1 Limits of asymmetric unit : 1.00 1.00 0.50 Grid spacing to be used : 108 176 126 Maximuum H,K,L : 32 51 37 Minimum acceptable grid spacing: 71 114 82 Limits of asymmetric unit : 1.00 1.00 0.50 Grid spacing to be used : 108 176 126 Maximuum H,K,L : 32 51 37 Minimum acceptable grid spacing: 71 114 82 Weight matrix 0.10777523 Actual weight 6.0996461 is applied to the X-ray term Norm of X_ray positional gradient 150. Norm of Geom. positional gradient 0.122E+04 Norm of X_ray B-factor gradient 87.7 Norm of Geom. B-factor gradient 0.437E+04 Product of X_ray and Geom posit. gradients 0.118E+10 Cosine of angle between them 0.463 Product of X_ray and Geom B-fact gradients 0.00 Cosine of angle between them 0.000 Residuals: XRAY= 0.1580E+07 GEOM= 0.6336E+06 TOTAL= 0.2214E+07 function value 2213987.3 ------------------------------------------------------------------------------- Restraint type N restraints Rms Delta Av(Sigma) Bond distances: refined atoms 2523 0.205 0.013 Bond distances: others 2207 0.037 0.017 Bond angles : refined atoms 3467 12.651 1.638 Bond angles : others 5157 7.089 1.568 Torsion angles, period 1. refined 352 13.721 5.000 Torsion angles, period 2. refined 86 32.972 25.000 Torsion angles, period 3. refined 342 17.953 15.000 Torsion angles, period 4. refined 1 33.313 15.000 Chiral centres: refined atoms 376 0.881 0.200 Planar groups: refined atoms 2881 0.072 0.020 Planar groups: others 515 0.194 0.020 VDW repulsions: refined_atoms 607 0.367 0.200 VDW repulsions.others 2434 0.354 0.200 VDW; torsion: refined_atoms 1174 0.272 0.200 VDW; torsion.others 1648 0.253 0.200 HBOND: refined_atoms 92 0.207 0.200 HBOND.others 14 0.078 0.200 VDW repulsions: symmetry: refined_atoms 6 0.128 0.200 VDW repulsions: symmetry: others 40 0.262 0.200 HBOND: symmetry: refined_atoms 3 0.250 0.200 M. chain bond B values: refined atoms 1359 0.000 1.600 M. chain bond B values: others 1358 0.000 117.141 M. chain angle B values: refined atoms 1688 0.000 2.399 M. chain angle B values: others 1689 0.000 11.255 S. chain bond B values: refined atoms 1164 0.000 1.600 S. chain bond B values: others 1164 0.000 7689.528 S. chain angle B values: refined atoms 1765 0.000 2.399 S. chain angle B values: others 1765 0.000 2.399 Long range B values: refined atoms 2774 0.000 18.650 Long range B values: others 2775 0.000 18.650 Rigid bond restraints 2523 0.000 3.000 ------------------------------------------------------------------------------- ----------------------------------------------------------------------------- Overall scale should be multiplied by 1.0000 Overall : scale = 0.0454, B = -1.2787 Partial structure 1: scale = 0.4837, B = 35.4510 Overall anisotropic scale factors B11 = -0.73 B22 = -0.08 B33 = 0.80 B12 = 0.00 B13 = -0.28 B23 = 0.00 ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- **** Things for loggraph, R factor and others **** $TABLE: Cycle 1. Rfactor analysis, F distribution v resln : $GRAPHS:Cycle 1.