data_1mv4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1mv4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 270' ' ' ILE . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.431 HG21 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.543 ' CG ' ' HE1' ' B' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.485 ' CD1' ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.414 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.455 ' CB ' HD13 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.543 ' HE1' ' CG ' ' A' ' 281' ' ' MET . 2.4 tpp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 34.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.512 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.424 ' O ' HG21 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' B' ' 270' ' ' ILE . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 270' ' ' ILE . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.54 ' O ' ' CE ' ' B' ' 281' ' ' MET . 9.2 ttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.498 HD23 ' CG ' ' B' ' 264' ' ' LYS . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 4.9 tp-100 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.498 ' CG ' HD23 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.42 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 271' ' ' SER . . . . . 0.438 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.54 ' CE ' ' O ' ' A' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' B' ' 256' ' ' LEU . 26.2 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.43 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' B' ' 267' ' ' TYR . 1.2 tp-100 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.487 ' HE1' ' O ' ' B' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 263' ' ' GLN . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.408 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . 0.436 ' C ' HG22 ' B' ' 270' ' ' ILE . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 271' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 267' ' ' TYR . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' B' ' 272' ' ' GLU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.429 HD21 ' CE ' ' A' ' 281' ' ' MET . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.491 ' O ' ' HG3' ' B' ' 281' ' ' MET . 1.2 tpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.498 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.498 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 266' ' ' LYS . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 281' ' ' MET . 3.3 ptm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' B' ' 261' ' ' TYR . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . . . . . . . . . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.444 ' HG2' ' SD ' ' A' ' 281' ' ' MET . 1.7 tpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.512 ' CG ' HD23 ' B' ' 256' ' ' LEU . 1.7 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.49 ' CD2' ' HE2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.432 ' NE2' ' HZ3' ' B' ' 264' ' ' LYS . 0.7 OUTLIER -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.49 ' HE2' ' CD2' ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.412 ' N ' HD21 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.561 ' HB3' ' CE ' ' B' ' 281' ' ' MET . 1.2 tpp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 257' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' B' ' 263' ' ' GLN . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.465 ' HE3' ' CD2' ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.405 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.561 ' CE ' ' HB3' ' A' ' 281' ' ' MET . 1.3 ptm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 47.6 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 270' ' ' ILE . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 267' ' ' TYR . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' B' ' 278' ' ' LEU . 1.6 tpp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.485 ' CD1' ' HE3' ' B' ' 264' ' ' LYS . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 281' ' ' MET . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.451 ' CG ' ' HE3' ' A' ' 281' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.509 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . 0.415 HD12 ' SD ' ' B' ' 281' ' ' MET . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.561 ' CG ' ' HE1' ' B' ' 281' ' ' MET . 2.1 tpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 263' ' ' GLN . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.452 ' HE2' ' CD2' ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.433 HG23 ' O ' ' B' ' 267' ' ' TYR . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 271' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' B' ' 267' ' ' TYR . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.561 ' HE1' ' CG ' ' A' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' B' ' 274' ' ' LEU . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . 0.424 HD23 ' CE ' ' B' ' 281' ' ' MET . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.476 ' CG ' ' HE2' ' B' ' 281' ' ' MET . 3.4 ptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . 0.422 ' O ' HD13 ' B' ' 265' ' ' LEU . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.469 ' CG ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.441 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 271' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 267' ' ' TYR . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 274' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.476 ' HE2' ' CG ' ' A' ' 281' ' ' MET . 42.2 tpp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.482 HD12 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.448 ' NE2' ' NZ ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.482 ' CE ' HD12 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.404 ' C ' HG21 ' A' ' 270' ' ' ILE . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.404 HG21 ' C ' ' A' ' 267' ' ' TYR . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . 0.452 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.529 ' HG2' ' HG2' ' B' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.478 ' CD2' ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.478 ' HE3' ' CD2' ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.529 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 10.2 mt-10 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' LEU . . . . . 0.493 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' LYS . . . . . 0.493 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' TYR . . . . . 0.467 ' CE1' ' HG2' ' B' ' 266' ' ' LYS . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 270' ' ' ILE . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' LEU . . . . . . . . . . . . . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' MET . . . . . 0.567 ' CE ' ' O ' ' B' ' 281' ' ' MET . 3.1 tpp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 256' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 260' ' ' LEU . . . . . 0.498 HD23 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.498 ' CE ' HD23 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 266' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 267' ' ' TYR . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 267' ' ' TYR . . . . . 0.5 ' C ' HG23 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 270' ' ' ILE . . . . . 0.5 HG23 ' C ' ' B' ' 267' ' ' TYR . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 273' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 274' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 277' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 281' ' ' MET . . . . . 0.567 ' O ' ' CE ' ' A' ' 281' ' ' MET . 5.6 ttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.486 ' CB ' ' HB ' ' A' ' 253' ' ' ILE . 1.7 t 47.35 -154.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -135.37 38.37 1.81 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -141.51 -81.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 40.9 p -151.04 37.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.517 ' CG2' HG13 ' B' ' 253' ' ' ILE . 2.0 mp -86.52 -31.34 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.6 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.0 -25.61 31.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' B' ' 257' ' ' GLU . 0.2 OUTLIER -68.02 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.26 -36.44 63.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 270' ' ' ILE . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.431 HG21 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.543 ' CG ' ' HE1' ' B' ' 281' ' ' MET . 0.1 OUTLIER -77.0 -53.7 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.534 ' CG2' ' O ' ' A' ' 281' ' ' MET . 6.6 t 55.11 160.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 19.7 t -54.19 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.511 ' CD1' ' HG3' ' A' ' 281' ' ' MET . 1.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' B' ' 253' ' ' ILE . 51.6 m -117.41 -77.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -167.26 -35.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 -90.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 3.4 m -134.36 82.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.944 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.517 HG13 ' CG2' ' A' ' 253' ' ' ILE . 1.4 mp -80.55 -38.37 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -48.71 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -22.42 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 253' ' ' ILE . 0.2 OUTLIER -66.2 -60.84 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' A' ' 256' ' ' LEU . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.485 ' CD1' ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.414 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.455 ' CB ' HD13 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.543 ' HE1' ' CG ' ' A' ' 281' ' ' MET . 2.4 tpp -88.74 -8.94 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.441 HG21 ' O ' ' B' ' 281' ' ' MET . 1.3 t 55.01 164.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 7.4 t -81.39 85.62 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 284' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.402 ' HA2' ' HB ' ' A' ' 253' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.582 ' SG ' ' C ' ' B' ' 249' ' ' CYS . 0.5 OUTLIER -64.12 -68.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . 0.527 ' O ' ' CD ' ' A' ' 251' ' ' LYS . . . 159.28 80.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 250' ' ' GLY . 9.5 tptt 172.65 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 0.759 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 83.1 p -142.65 22.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.923 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.515 HG13 ' HB2' ' A' ' 249' ' ' CYS . 1.8 mm -63.94 -50.54 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 253' ' ' ILE . 1.4 m-20 -35.32 -61.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -46.86 79.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 253' ' ' ILE . 0.3 OUTLIER -52.78 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 34.4 mt-10 -43.37 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.512 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.424 ' O ' HG21 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.475 ' CG2' HG12 ' B' ' 270' ' ' ILE . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 270' ' ' ILE . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 282' ' ' THR . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.552 ' O ' ' CG1' ' A' ' 284' ' ' ILE . 9.2 ttt -80.95 -1.82 45.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.691 ' O ' ' C ' ' A' ' 283' ' ' SER . 15.2 t -51.36 156.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.691 ' C ' ' O ' ' A' ' 282' ' ' THR . 46.8 t 3.72 98.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 281' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.582 ' C ' ' SG ' ' A' ' 249' ' ' CYS . 0.5 OUTLIER 87.55 -55.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.581 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . 125.3 28.19 1.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.616 1.197 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 249' ' ' CYS . 0.6 OUTLIER -163.02 -96.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.07 42.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.484 HD11 ' N ' ' B' ' 253' ' ' ILE . 0.4 OUTLIER -55.37 -24.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.76 -67.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -50.22 -24.5 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp -68.88 -56.51 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.498 HD23 ' CG ' ' B' ' 264' ' ' LYS . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 4.9 tp-100 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.498 ' CG ' HD23 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.42 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 271' ' ' SER . . . . . 0.438 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.54 ' CE ' ' O ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -87.75 17.8 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.5 ' O ' ' CE ' ' A' ' 281' ' ' MET . 14.9 t 47.63 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.452 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.6 t -112.67 81.21 1.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.414 HG12 ' CG2' ' B' ' 282' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.595 ' HA ' ' HB2' ' B' ' 249' ' ' CYS . 0.1 OUTLIER 173.91 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 76.97 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.81 -61.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 80.1 p -112.32 -2.35 14.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 249' ' ' CYS . 1.1 tp -69.89 -25.96 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 0.0 109.22 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -46.46 -65.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.85 -22.26 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 253' ' ' ILE . 0.1 OUTLIER -70.47 -60.32 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' B' ' 256' ' ' LEU . 26.2 mt-10 -53.87 -31.7 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.43 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' B' ' 267' ' ' TYR . 1.2 tp-100 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 282' ' ' THR . 0.0 OUTLIER -88.04 18.62 4.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 281' ' ' MET . 15.1 t 33.34 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 284' ' ' ILE . 38.5 t -106.03 22.56 15.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.548 ' C ' ' O ' ' A' ' 283' ' ' SER . 3.9 mm . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 249' ' ' CYS . 5.9 p -105.77 140.6 38.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 109.98 66.68 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -171.29 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 1.5 m -115.14 -19.12 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 249' ' ' CYS . 0.6 OUTLIER -57.34 -38.44 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.91 -61.66 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -19.95 15.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER -68.1 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 256' ' ' LEU . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 263' ' ' GLN . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.408 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . 0.436 ' C ' HG22 ' B' ' 270' ' ' ILE . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 271' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 267' ' ' TYR . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' B' ' 272' ' ' GLU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.429 HD21 ' CE ' ' A' ' 281' ' ' MET . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.496 ' HG3' HG13 ' B' ' 284' ' ' ILE . 1.2 tpt -93.68 12.71 24.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.685 ' O ' ' C ' ' B' ' 283' ' ' SER . 7.4 t -50.58 143.32 9.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' SER . . . . . 0.685 ' C ' ' O ' ' B' ' 282' ' ' THR . 13.4 t 8.58 96.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.496 HG13 ' HG3' ' B' ' 281' ' ' MET . 1.4 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.521 ' N ' ' HD2' ' A' ' 254' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 253' ' ' ILE . 87.0 m 72.18 -65.68 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -129.0 -20.48 1.46 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 16.2 mttt 165.42 -72.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 255' ' ' ASP . 0.3 OUTLIER -125.25 9.29 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.544 ' CG2' ' HB2' ' B' ' 249' ' ' CYS . 11.1 mt -37.39 -53.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . 0.521 ' HD2' ' N ' ' A' ' 248' ' ' GLY . 0.2 OUTLIER -39.97 -48.71 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 252' ' ' SER . 33.6 t0 -69.76 -37.48 76.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 253' ' ' ILE . 3.5 mm? -56.78 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -46.5 -48.96 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 254' ' ' ASP . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 255' ' ' ASP . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.498 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.498 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 266' ' ' LYS . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.534 ' O ' ' C ' ' A' ' 282' ' ' THR . 3.3 ptm -111.42 27.96 9.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.561 ' O ' ' CE ' ' B' ' 281' ' ' MET . 5.4 t 27.04 -135.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.634 ' O ' ' C ' ' A' ' 284' ' ' ILE . 12.1 t -121.12 14.37 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 283' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 253' ' ' ILE . 17.8 p -172.87 99.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 253' ' ' ILE . . . 112.48 44.63 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.68 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 34.7 m -127.33 37.46 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.606 1.191 . . . . 0.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 253' ' ' ILE . 3.8 tp -74.35 -18.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.74 -61.69 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -30.65 60.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 1.1 tm? -63.67 -51.39 65.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 256' ' ' LEU . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . . . . . . . . . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.561 ' CE ' ' O ' ' A' ' 282' ' ' THR . 1.7 tpp -94.48 -23.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 281' ' ' MET . 14.1 t 49.29 179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 26.1 t -80.28 86.29 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 284' ' ' ILE . 1.8 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.065 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' B' ' 257' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.527 ' CB ' HD11 ' A' ' 253' ' ' ILE . 29.3 p -69.43 129.82 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 112.78 44.47 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 176.16 -84.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 255' ' ' ASP . 1.0 OUTLIER -131.43 51.09 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.545 ' CG2' HG22 ' B' ' 253' ' ' ILE . 0.4 OUTLIER -40.33 -36.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -54.38 -53.1 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 252' ' ' SER . 35.6 t70 -60.72 -24.98 66.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' B' ' 260' ' ' LEU . 0.2 OUTLIER -61.81 -57.19 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.512 ' CG ' HD23 ' B' ' 256' ' ' LEU . 1.7 mm-40 -59.41 -40.26 86.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.49 ' CD2' ' HE2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.432 ' NE2' ' HZ3' ' B' ' 264' ' ' LYS . 0.7 OUTLIER -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.49 ' HE2' ' CD2' ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.412 ' N ' HD21 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 282' ' ' THR . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.561 ' HB3' ' CE ' ' B' ' 281' ' ' MET . 1.2 tpp -103.61 -37.59 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.502 ' O ' ' CE ' ' B' ' 281' ' ' MET . 0.7 OUTLIER 46.47 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 9.1 t -72.73 89.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' B' ' 284' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.506 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 66.4 m 65.47 -107.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -140.93 -35.12 0.11 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.65 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 6.2 m -132.53 36.55 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.545 HG22 ' CG2' ' A' ' 253' ' ' ILE . 1.3 mm -53.97 -27.0 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 253' ' ' ILE . 8.5 m-20 -37.73 -60.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 0.7 OUTLIER -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.076 . . . . 0.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 257' ' ' GLU . 1.0 OUTLIER -56.11 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 248' ' ' GLY . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.486 HD12 ' CD1' ' A' ' 256' ' ' LEU . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.465 ' HE3' ' CD2' ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.405 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.561 ' CE ' ' HB3' ' A' ' 281' ' ' MET . 1.3 ptm -97.77 -2.19 41.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.539 ' CG2' ' O ' ' B' ' 281' ' ' MET . 12.9 t 52.98 165.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.3 t -76.34 85.21 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 284' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.606 ' HB3' ' CG1' ' A' ' 253' ' ' ILE . 1.8 t 89.06 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -174.07 -37.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 2.7 mttt 163.25 -73.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 253' ' ' ILE . 37.2 m -126.44 32.46 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.606 ' CG1' ' HB3' ' A' ' 249' ' ' CYS . 5.0 mm -36.0 -43.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.31 -60.61 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 252' ' ' SER . 78.6 m-20 -54.33 -27.81 38.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 47.6 mt-10 -44.69 -46.04 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 270' ' ' ILE . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 267' ' ' TYR . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' B' ' 278' ' ' LEU . 1.6 tpp -94.17 17.76 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.438 ' O ' ' CE ' ' B' ' 281' ' ' MET . 0.0 OUTLIER 46.58 -173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 284' ' ' ILE . 9.4 t -105.74 3.74 29.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.506 HG13 ' CG1' ' B' ' 284' ' ' ILE . 4.8 mm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.525 ' CB ' ' HB ' ' B' ' 253' ' ' ILE . 0.5 OUTLIER 51.44 -149.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' B' ' 251' ' ' LYS . . . -141.46 49.73 0.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' B' ' 250' ' ' GLY . 0.0 OUTLIER 178.33 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 10.1 m -148.23 24.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.553 HG12 ' CG2' ' A' ' 253' ' ' ILE . 3.0 mp -53.06 -19.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.34 -69.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.22 -22.04 3.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp -64.21 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.485 ' CD1' ' HE3' ' B' ' 264' ' ' LYS . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.471 ' CD1' ' HE2' ' A' ' 281' ' ' MET . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.551 ' O ' HG13 ' B' ' 284' ' ' ILE . 0.6 OUTLIER -56.85 -35.24 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.493 HG23 ' N ' ' B' ' 283' ' ' SER . 8.8 t 44.76 -160.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' SER . . . . . 0.585 ' O ' ' C ' ' B' ' 284' ' ' ILE . 7.2 t -77.78 22.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.585 ' C ' ' O ' ' B' ' 283' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.476 ' C ' ' SG ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.527 ' HB2' ' CA ' ' B' ' 249' ' ' CYS . 0.7 OUTLIER 47.16 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 154.46 52.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.57 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.54 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' B' ' 253' ' ' ILE . 5.9 mm -82.89 -27.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.82 -52.48 20.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.5 -47.2 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' B' ' 257' ' ' GLU . 1.7 tp -49.58 -58.52 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 -52.87 -41.04 63.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.509 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.415 HD12 ' SD ' ' B' ' 281' ' ' MET . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.561 ' CG ' ' HE1' ' B' ' 281' ' ' MET . 2.1 tpt -73.4 -7.5 51.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 283' ' ' SER . 13.1 t -48.18 155.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.686 ' C ' ' O ' ' A' ' 282' ' ' THR . 43.7 t 4.27 96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.546 ' CD1' ' HG3' ' A' ' 281' ' ' MET . 3.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.527 ' CA ' ' HB2' ' A' ' 249' ' ' CYS . 69.8 m 46.42 -97.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.553 ' N ' ' CD1' ' B' ' 253' ' ' ILE . . . -160.61 -38.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.13 -85.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 252' ' ' SER . . . . . 0.492 ' O ' ' N ' ' B' ' 254' ' ' ASP . 3.6 m -125.76 30.69 5.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.602 ' CD1' HG23 ' A' ' 253' ' ' ILE . 2.5 mp -32.99 -37.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 252' ' ' SER . 17.5 m-20 -58.72 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 4.0 m-20 -60.33 -21.1 61.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER -66.13 -77.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 256' ' ' LEU . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.452 ' HE2' ' CD2' ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.433 HG23 ' O ' ' B' ' 267' ' ' TYR . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 271' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' B' ' 267' ' ' TYR . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.561 ' HE1' ' CG ' ' A' ' 281' ' ' MET . 0.1 OUTLIER -79.68 4.12 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' B' ' 281' ' ' MET . 7.2 t 53.93 165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.0 88.26 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.528 ' CG2' ' HB ' ' A' ' 284' ' ' ILE . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.518 ' CB ' ' HB ' ' A' ' 253' ' ' ILE . 0.3 OUTLIER 88.13 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -177.62 -31.4 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -155.62 -84.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.5 p -139.31 54.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.518 ' HB ' ' CB ' ' A' ' 249' ' ' CYS . 3.0 mp -83.31 -34.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.69 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -29.53 4.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.48 HD21 ' CG ' ' B' ' 257' ' ' GLU . 0.0 OUTLIER -63.06 -69.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.35 -43.64 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' B' ' 274' ' ' LEU . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.424 HD23 ' CE ' ' B' ' 281' ' ' MET . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.588 ' O ' ' CG1' ' A' ' 284' ' ' ILE . 3.4 ptm -95.35 8.38 43.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 281' ' ' MET . 5.3 t 45.71 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' B' ' 281' ' ' MET . 19.6 t -90.06 86.63 6.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.588 ' CG1' ' O ' ' A' ' 281' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' B' ' 250' ' ' GLY . 0.7 OUTLIER -38.87 -52.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . -164.1 31.43 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.39 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 5.6 m -148.3 76.2 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 253' ' ' ILE . 2.9 mm -85.13 -31.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -52.22 -67.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.38 -23.79 1.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -68.47 -58.77 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.48 ' CG ' HD21 ' A' ' 256' ' ' LEU . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 256' ' ' LEU . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . 0.422 ' O ' HD13 ' B' ' 265' ' ' LEU . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.469 ' CG ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.441 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 271' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' B' ' 267' ' ' TYR . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 274' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.476 ' HE2' ' CG ' ' A' ' 281' ' ' MET . 42.2 tpp -89.11 -23.75 22.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.541 ' CG2' ' O ' ' B' ' 282' ' ' THR . 0.5 OUTLIER 81.29 20.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' SER . . . . . 0.534 ' HA ' ' CE ' ' A' ' 281' ' ' MET . 0.4 OUTLIER 40.4 69.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.492 ' HB ' ' CD1' ' A' ' 284' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.659 ' HA ' ' CD1' ' A' ' 253' ' ' ILE . 19.7 p 44.24 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 251' ' ' LYS . . . 158.44 37.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 250' ' ' GLY . 0.1 OUTLIER -177.05 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.9 t -154.53 86.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.929 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.659 ' CD1' ' HA ' ' A' ' 249' ' ' CYS . 1.7 mp -75.42 -29.62 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.381 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.31 -62.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -52.76 -25.11 10.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 260' ' ' LEU . 0.2 OUTLIER -65.84 -52.42 50.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 2.0 mt-10 -62.17 -30.51 71.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.482 HD12 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.448 ' NE2' ' NZ ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.482 ' CE ' HD12 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.404 ' C ' HG21 ' A' ' 270' ' ' ILE . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.404 HG21 ' C ' ' A' ' 267' ' ' TYR . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . 0.452 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.529 ' HG2' ' HG2' ' B' ' 281' ' ' MET . 0.1 OUTLIER -81.08 -2.95 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.618 ' OG1' ' N ' ' A' ' 283' ' ' SER . 1.3 t 42.29 -168.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' SER . . . . . 0.618 ' N ' ' OG1' ' A' ' 282' ' ' THR . 0.9 OUTLIER -91.59 2.3 56.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.493 HG12 ' CD1' ' B' ' 284' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.559 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 59.6 m -145.47 -133.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' B' ' 251' ' ' LYS . . . -120.59 -13.63 5.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' B' ' 250' ' ' GLY . 1.2 mttp 165.17 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 252' ' ' SER . . . . . 0.428 ' N ' HD11 ' B' ' 253' ' ' ILE . 31.8 p -121.17 55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' B' ' 256' ' ' LEU . 0.4 OUTLIER -85.06 -29.58 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.01 -53.24 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 34.4 m-20 -67.55 -35.39 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' B' ' 253' ' ' ILE . 5.7 mp -59.03 -70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.478 ' CD2' ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.478 ' HE3' ' CD2' ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . 0.465 HD23 ' CE ' ' A' ' 281' ' ' MET . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.529 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 0.2 OUTLIER -89.4 7.86 33.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.498 ' C ' ' O ' ' B' ' 281' ' ' MET . 14.9 t 31.15 -148.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' SER . . . . . 0.576 ' O ' ' C ' ' B' ' 284' ' ' ILE . 5.1 t -108.2 22.3 16.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.576 ' C ' ' O ' ' B' ' 283' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' CYS . . . . . 0.524 ' CB ' HG13 ' A' ' 253' ' ' ILE . 35.9 t 60.1 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 248' ' ' GLY . . . -162.18 26.63 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.39 -93.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.8 72.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' ILE . . . . . 0.524 HG13 ' CB ' ' A' ' 249' ' ' CYS . 40.8 mm -86.51 -34.85 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -42.99 -62.45 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -27.85 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' B' ' 256' ' ' LEU . 0.3 OUTLIER -63.08 -68.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 10.2 mt-10 -45.41 -43.53 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' LEU . . . . . 0.493 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' LYS . . . . . 0.493 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' TYR . . . . . 0.467 ' CE1' ' HG2' ' B' ' 266' ' ' LYS . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 270' ' ' ILE . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . . . . . . . . . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' MET . . . . . 0.567 ' CE ' ' O ' ' B' ' 281' ' ' MET . 3.1 tpp -88.62 -6.83 57.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' THR . . . . . 0.531 ' O ' ' CE ' ' B' ' 281' ' ' MET . 7.9 t 53.11 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.74 86.87 6.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 282' ' ' THR . 1.4 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 249' ' ' CYS . . . . . 0.417 ' SG ' ' HB ' ' B' ' 253' ' ' ILE . 76.2 m -105.34 -49.36 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 117.97 28.69 2.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -176.32 -128.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 99.0 p -125.81 37.83 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 253' ' ' ILE . . . . . 0.485 HG12 ' CG2' ' A' ' 253' ' ' ILE . 1.8 mp -54.71 -29.17 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -59.17 -68.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.64 -22.66 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 256' ' ' LEU . 0.4 OUTLIER -65.42 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.453 ' HG2' ' CD1' ' A' ' 256' ' ' LEU . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' LEU . . . . . 0.498 HD23 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.498 ' CE ' HD23 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 266' ' ' LYS . . . . . 0.467 ' HG2' ' CE1' ' A' ' 267' ' ' TYR . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 267' ' ' TYR . . . . . 0.5 ' C ' HG23 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 270' ' ' ILE . . . . . 0.5 HG23 ' C ' ' B' ' 267' ' ' TYR . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 273' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 274' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' MET . . . . . 0.732 ' O ' ' O ' ' B' ' 282' ' ' THR . 5.6 ttm -116.17 49.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' THR . . . . . 0.732 ' O ' ' O ' ' B' ' 281' ' ' MET . 0.4 OUTLIER -38.87 -179.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' SER . . . . . 0.598 ' O ' ' C ' ' B' ' 284' ' ' ILE . 30.9 t -65.87 53.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' B' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.451 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.577 ' HE2' HD23 ' B' ' 278' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.454 ' HA ' HG22 ' B' ' 270' ' ' ILE . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 268' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.625 HG22 ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.41 ' N ' HG23 ' B' ' 270' ' ' ILE . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 272' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.577 HD23 ' HE2' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.415 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 2.4 tpp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 1.012 ' HG2' HD21 ' B' ' 256' ' ' LEU . 34.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 267' ' ' TYR . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.888 HD13 ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.585 ' O ' ' HE3' ' B' ' 281' ' ' MET . 9.2 ttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 1.012 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.829 ' HB2' HD12 ' A' ' 260' ' ' LEU . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 23.4 tp60 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.647 ' HE3' HD21 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 265' ' ' LEU . . . . . 0.684 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.403 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.723 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.888 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.585 ' HE3' ' O ' ' A' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 0.663 ' HA ' HD11 ' B' ' 256' ' ' LEU . 26.2 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.47 HD12 HD13 ' B' ' 256' ' ' LEU . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' B' ' 267' ' ' TYR . 3.3 tp60 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.842 HD12 HG12 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 274' ' ' LEU . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' LEU . . . . . 0.507 HD13 ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.485 ' HE3' ' O ' ' B' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' B' ' 264' ' ' LYS . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.755 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.573 ' CD1' ' NE2' ' A' ' 263' ' ' GLN . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 270' ' ' ILE . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.634 ' HB2' HD22 ' A' ' 274' ' ' LEU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.507 ' HE2' HD13 ' A' ' 278' ' ' LEU . 1.2 tpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' B' ' 271' ' ' SER . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.545 HD12 ' HG ' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' B' ' 278' ' ' LEU . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 281' ' ' MET . 3.3 ptm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 260' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 261' ' ' TYR . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.613 HD13 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 261' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.613 ' CE ' HD13 ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 270' ' ' ILE . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 266' ' ' LYS . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 270' ' ' ILE . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.655 ' C ' HD23 ' B' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.625 HD12 ' HB1' ' A' ' 277' ' ' ALA . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.443 ' HG2' ' SD ' ' A' ' 281' ' ' MET . 1.7 tpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.848 ' HB2' HD12 ' B' ' 260' ' ' LEU . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.607 ' CE ' HD22 ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 271' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 270' ' ' ILE . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' B' ' 278' ' ' LEU . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' LEU . . . . . 0.523 HD21 ' C ' ' B' ' 277' ' ' ALA . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.591 ' HB3' ' HE1' ' B' ' 281' ' ' MET . 1.2 tpp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 256' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 260' ' ' LEU . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.6 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.448 ' HA ' HG22 ' B' ' 270' ' ' ILE . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.6 HG22 ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.523 ' C ' HD21 ' A' ' 278' ' ' LEU . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.442 ' CD1' ' HB1' ' A' ' 277' ' ' ALA . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.591 ' HE1' ' HB3' ' A' ' 281' ' ' MET . 1.3 ptm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 0.8 ' HG2' HD21 ' B' ' 256' ' ' LEU . 47.6 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 270' ' ' ILE . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.765 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.885 ' HB2' HD12 ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.724 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 265' ' ' LEU . . . . . 0.556 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.509 ' O ' HG22 ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.441 ' N ' HG23 ' B' ' 270' ' ' ILE . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 275' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 279' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 278' ' ' LEU . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.675 ' O ' ' HE3' ' B' ' 281' ' ' MET . 2.1 tpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 259' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 263' ' ' GLN . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.768 ' HB2' HD12 ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.707 ' CE ' HD22 ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 265' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 265' ' ' LEU . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.468 ' O ' HG22 ' B' ' 270' ' ' ILE . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.477 HG23 ' N ' ' B' ' 271' ' ' SER . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.596 HD21 ' SD ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.675 ' HE3' ' O ' ' A' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 266' ' ' LYS . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.561 HD12 ' CB ' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 275' ' ' ASP . . . . . 0.542 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 278' ' ' LEU . . . . . 0.609 HD12 ' HB1' ' B' ' 277' ' ' ALA . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' B' ' 281' ' ' MET . 3.4 ptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.627 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.627 ' CE ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 265' ' ' LEU . . . . . 1.045 HD22 ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.846 ' N ' HD13 ' B' ' 265' ' ' LEU . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 269' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 269' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.561 ' CB ' HD12 ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 275' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.609 ' HB1' HD12 ' A' ' 278' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 279' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.448 ' HG2' ' SD ' ' A' ' 281' ' ' MET . 42.2 tpp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD23 ' B' ' 256' ' ' LEU . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.509 HD22 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.41 ' HG2' ' NZ ' ' B' ' 264' ' ' LYS . 0.9 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.509 ' CE ' HD22 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 266' ' ' LYS . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 270' ' ' ILE . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.586 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.53 ' HG2' ' HG2' ' B' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.606 HD23 ' HG2' ' A' ' 257' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.619 HD21 ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.619 ' HE3' HD21 ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.52 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.413 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.53 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' GLU . . . . . 0.532 ' HG2' HD23 ' B' ' 256' ' ' LEU . 10.2 mt-10 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 260' ' ' LEU . . . . . 0.495 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 264' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 267' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 270' ' ' ILE . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 273' ' ' GLU . . . . . 0.802 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 274' ' ' LEU . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 277' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 281' ' ' MET . . . . . 0.683 ' HE3' ' O ' ' B' ' 281' ' ' MET . 3.1 tpp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 256' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 257' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 259' ' ' GLU . . . . . 0.472 ' HG2' ' HZ2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 260' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.48 ' CE ' HD22 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 266' ' ' LYS . . . . . 0.554 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 267' ' ' TYR . . . . . 0.474 ' C ' HG22 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 270' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 270' ' ' ILE . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 271' ' ' SER . . . . . 0.525 ' N ' HG23 ' B' ' 270' ' ' ILE . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 273' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 274' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 277' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 278' ' ' LEU . . . . . 0.576 HD21 ' HE1' ' A' ' 281' ' ' MET . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 281' ' ' MET . . . . . 0.683 ' O ' ' HE3' ' A' ' 281' ' ' MET . 5.6 ttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.523 ' HA2' HG22 ' A' ' 253' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.902 ' HB3' HD13 ' A' ' 253' ' ' ILE . 1.7 t 47.35 -154.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -135.37 38.37 1.81 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -141.51 -81.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 40.9 p -151.04 37.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.902 HD13 ' HB3' ' A' ' 249' ' ' CYS . 2.0 mp -86.52 -31.34 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.6 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.0 -25.61 31.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' B' ' 257' ' ' GLU . 0.2 OUTLIER -68.02 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.26 -36.44 63.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.451 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.857 ' O ' HG22 ' A' ' 282' ' ' THR . 0.1 OUTLIER -77.0 -53.7 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 281' ' ' MET . 6.6 t 55.11 160.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 19.7 t -54.19 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.789 HD11 ' HG3' ' A' ' 281' ' ' MET . 1.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' B' ' 253' ' ' ILE . 51.6 m -117.41 -77.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -167.26 -35.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 -90.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 3.4 m -134.36 82.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.944 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.7 HG13 HG21 ' A' ' 253' ' ' ILE . 1.4 mp -80.55 -38.37 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -48.71 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -22.42 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 253' ' ' ILE . 0.2 OUTLIER -66.2 -60.84 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 256' ' ' LEU . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.454 ' HA ' HG22 ' B' ' 270' ' ' ILE . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 268' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.625 HG22 ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.41 ' N ' HG23 ' B' ' 270' ' ' ILE . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 272' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.577 HD23 ' HE2' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.691 ' O ' HG22 ' B' ' 282' ' ' THR . 2.4 tpp -88.74 -8.94 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.691 HG22 ' O ' ' B' ' 281' ' ' MET . 1.3 t 55.01 164.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 7.4 t -81.39 85.62 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 284' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.401 ' HA2' ' HB ' ' A' ' 253' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.582 ' SG ' ' C ' ' B' ' 249' ' ' CYS . 0.5 OUTLIER -64.12 -68.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 250' ' ' GLY . . . . . 0.527 ' O ' ' CD ' ' A' ' 251' ' ' LYS . . . 159.28 80.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 250' ' ' GLY . 9.5 tptt 172.65 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 0.759 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 83.1 p -142.65 22.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.923 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.752 HG23 HG13 ' B' ' 253' ' ' ILE . 1.8 mm -63.94 -50.54 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 254' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 253' ' ' ILE . 1.4 m-20 -35.32 -61.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -46.86 79.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' B' ' 257' ' ' GLU . 0.3 OUTLIER -52.78 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 1.012 ' HG2' HD21 ' B' ' 256' ' ' LEU . 34.4 mt-10 -43.37 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 267' ' ' TYR . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.888 HD13 ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 282' ' ' THR . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.908 ' CG ' HD11 ' A' ' 284' ' ' ILE . 9.2 ttt -80.95 -1.82 45.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.691 ' O ' ' C ' ' A' ' 283' ' ' SER . 15.2 t -51.36 156.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.691 ' C ' ' O ' ' A' ' 282' ' ' THR . 46.8 t 3.72 98.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.908 HD11 ' CG ' ' A' ' 281' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 248' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' B' ' 253' ' ' ILE . 0.5 OUTLIER 87.55 -55.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.581 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . 125.3 28.19 1.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.616 1.197 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 251' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 249' ' ' CYS . 0.6 OUTLIER -163.02 -96.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.07 42.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.752 HG13 HG23 ' A' ' 253' ' ' ILE . 0.4 OUTLIER -55.37 -24.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.76 -67.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -50.22 -24.5 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 1.012 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp -68.88 -56.51 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.789 ' HG2' HD21 ' A' ' 256' ' ' LEU . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.829 ' HB2' HD12 ' A' ' 260' ' ' LEU . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 23.4 tp60 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.647 ' HE3' HD21 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 265' ' ' LEU . . . . . 0.684 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.403 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.723 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.888 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.647 ' O ' HG22 ' B' ' 282' ' ' THR . 0.0 OUTLIER -87.75 17.8 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 281' ' ' MET . 14.9 t 47.63 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.452 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.6 t -112.67 81.21 1.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.607 HG12 HG23 ' B' ' 282' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' B' ' 249' ' ' CYS . 0.1 OUTLIER 173.91 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 76.97 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.81 -61.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 80.1 p -112.32 -2.35 14.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.553 HG21 ' CG1' ' B' ' 253' ' ' ILE . 1.1 tp -69.89 -25.96 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 0.0 109.22 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -46.46 -65.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.85 -22.26 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 253' ' ' ILE . 0.1 OUTLIER -70.47 -60.32 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.663 ' HA ' HD11 ' B' ' 256' ' ' LEU . 26.2 mt-10 -53.87 -31.7 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.47 HD12 HD13 ' B' ' 256' ' ' LEU . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' B' ' 267' ' ' TYR . 3.3 tp60 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.842 HD12 HG12 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 274' ' ' LEU . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.505 ' O ' ' O ' ' A' ' 282' ' ' THR . 0.0 OUTLIER -88.04 18.62 4.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.834 HG23 ' H ' ' A' ' 284' ' ' ILE . 15.1 t 33.34 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 284' ' ' ILE . 38.5 t -106.03 22.56 15.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.834 ' H ' HG23 ' A' ' 282' ' ' THR . 3.9 mm . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 249' ' ' CYS . 5.9 p -105.77 140.6 38.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 109.98 66.68 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -171.29 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 1.5 m -115.14 -19.12 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.553 ' CG1' HG21 ' A' ' 253' ' ' ILE . 0.6 OUTLIER -57.34 -38.44 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.91 -61.66 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -19.95 15.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER -68.1 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.476 ' HA ' HD21 ' A' ' 256' ' ' LEU . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' B' ' 264' ' ' LYS . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.755 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.573 ' CD1' ' NE2' ' A' ' 263' ' ' GLN . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 270' ' ' ILE . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.634 ' HB2' HD22 ' A' ' 274' ' ' LEU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' B' ' 282' ' ' THR . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.571 ' HA ' HD11 ' B' ' 284' ' ' ILE . 1.2 tpt -93.68 12.71 24.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.685 ' O ' ' C ' ' B' ' 283' ' ' SER . 7.4 t -50.58 143.32 9.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 283' ' ' SER . . . . . 0.685 ' C ' ' O ' ' B' ' 282' ' ' THR . 13.4 t 8.58 96.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.731 ' HB ' HG21 ' A' ' 284' ' ' ILE . 1.4 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 253' ' ' ILE . 87.0 m 72.18 -65.68 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 250' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -129.0 -20.48 1.46 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 16.2 mttt 165.42 -72.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.471 ' C ' HD23 ' A' ' 256' ' ' LEU . 0.3 OUTLIER -125.25 9.29 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' B' ' 249' ' ' CYS . 11.1 mt -37.39 -53.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 254' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 258' ' ' ASP . 0.2 OUTLIER -39.97 -48.71 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 255' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 252' ' ' SER . 33.6 t0 -69.76 -37.48 76.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' B' ' 257' ' ' GLU . 3.5 mm? -56.78 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -46.5 -48.96 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 254' ' ' ASP . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 255' ' ' ASP . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' B' ' 271' ' ' SER . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.545 HD12 ' HG ' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' B' ' 278' ' ' LEU . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.534 ' O ' ' C ' ' A' ' 282' ' ' THR . 3.3 ptm -111.42 27.96 9.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.872 HG23 ' H ' ' A' ' 284' ' ' ILE . 5.4 t 27.04 -135.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 284' ' ' ILE . 12.1 t -121.12 14.37 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.872 ' H ' HG23 ' A' ' 282' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.883 ' HB2' HG21 ' A' ' 253' ' ' ILE . 17.8 p -172.87 99.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 253' ' ' ILE . . . 112.48 44.63 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.68 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 34.7 m -127.33 37.46 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.606 1.191 . . . . 0.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 253' ' ' ILE . 3.8 tp -74.35 -18.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.74 -61.69 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -30.65 60.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 260' ' ' LEU . 1.1 tm? -63.67 -51.39 65.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 256' ' ' LEU . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.613 HD13 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 261' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.613 ' CE ' HD13 ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 270' ' ' ILE . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 266' ' ' LYS . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 270' ' ' ILE . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.655 ' C ' HD23 ' B' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.625 HD12 ' HB1' ' A' ' 277' ' ' ALA . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.698 ' O ' HG22 ' B' ' 282' ' ' THR . 1.7 tpp -94.48 -23.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.698 HG22 ' O ' ' B' ' 281' ' ' MET . 14.1 t 49.29 179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 26.1 t -80.28 86.29 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.527 HG21 ' HB ' ' A' ' 284' ' ' ILE . 1.8 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.065 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' B' ' 257' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.623 ' CB ' HD13 ' A' ' 253' ' ' ILE . 29.3 p -69.43 129.82 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 112.78 44.47 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 176.16 -84.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 255' ' ' ASP . 1.0 OUTLIER -131.43 51.09 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.623 HD13 ' CB ' ' A' ' 249' ' ' CYS . 0.4 OUTLIER -40.33 -36.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -54.38 -53.1 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 255' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 252' ' ' SER . 35.6 t70 -60.72 -24.98 66.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.977 HD13 HD13 ' B' ' 260' ' ' LEU . 0.2 OUTLIER -61.81 -57.19 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.41 -40.26 86.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.848 ' HB2' HD12 ' B' ' 260' ' ' LEU . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.607 ' CE ' HD22 ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 271' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 270' ' ' ILE . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' B' ' 278' ' ' LEU . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.523 HD21 ' C ' ' B' ' 277' ' ' ALA . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.561 ' HB3' ' CE ' ' B' ' 281' ' ' MET . 1.2 tpp -103.61 -37.59 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 281' ' ' MET . 0.7 OUTLIER 46.47 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 282' ' ' THR . 9.1 t -72.73 89.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' B' ' 284' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.506 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 66.4 m 65.47 -107.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -140.93 -35.12 0.11 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.65 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 6.2 m -132.53 36.55 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.802 ' HA ' HD22 ' B' ' 256' ' ' LEU . 1.3 mm -53.97 -27.0 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 254' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 253' ' ' ILE . 8.5 m-20 -37.73 -60.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 255' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 0.7 OUTLIER -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.076 . . . . 0.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 253' ' ' ILE . 1.0 OUTLIER -56.11 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' B' ' 253' ' ' ILE . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 259' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.977 HD13 HD13 ' A' ' 256' ' ' LEU . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.6 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.448 ' HA ' HG22 ' B' ' 270' ' ' ILE . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.6 HG22 ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.523 ' C ' HD21 ' A' ' 278' ' ' LEU . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.442 ' CD1' ' HB1' ' A' ' 277' ' ' ALA . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.828 ' O ' HG22 ' B' ' 282' ' ' THR . 1.3 ptm -97.77 -2.19 41.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.828 HG22 ' O ' ' B' ' 281' ' ' MET . 12.9 t 52.98 165.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.3 t -76.34 85.21 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.577 HG21 ' CG2' ' A' ' 284' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.606 ' HB3' ' CG1' ' A' ' 253' ' ' ILE . 1.8 t 89.06 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 250' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -174.07 -37.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 2.7 mttt 163.25 -73.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 253' ' ' ILE . 37.2 m -126.44 32.46 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.797 HG21 HG12 ' B' ' 253' ' ' ILE . 5.0 mm -36.0 -43.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.31 -60.61 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 255' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 252' ' ' SER . 78.6 m-20 -54.33 -27.81 38.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.739 HD13 ' HG ' ' B' ' 260' ' ' LEU . 0.2 OUTLIER -60.67 -70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.8 ' HG2' HD21 ' B' ' 256' ' ' LEU . 47.6 mt-10 -44.69 -46.04 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 270' ' ' ILE . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.765 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.885 ' HB2' HD12 ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.533 ' HE3' ' O ' ' B' ' 282' ' ' THR . 1.6 tpp -94.17 17.76 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.438 ' O ' ' CE ' ' B' ' 281' ' ' MET . 0.0 OUTLIER 46.58 -173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 284' ' ' ILE . 9.4 t -105.74 3.74 29.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.725 ' HB ' HG21 ' B' ' 284' ' ' ILE . 4.8 mm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' B' ' 253' ' ' ILE . 0.5 OUTLIER 51.44 -149.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' B' ' 251' ' ' LYS . . . -141.46 49.73 0.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 251' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' B' ' 250' ' ' GLY . 0.0 OUTLIER 178.33 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 10.1 m -148.23 24.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 253' ' ' ILE . 3.0 mp -53.06 -19.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.34 -69.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.22 -22.04 3.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp -64.21 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 256' ' ' LEU . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.739 ' HG ' HD13 ' A' ' 256' ' ' LEU . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 265' ' ' LEU . . . . . 0.556 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.509 ' O ' HG22 ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.441 ' N ' HG23 ' B' ' 270' ' ' ILE . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 275' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.558 ' O ' HG22 ' B' ' 282' ' ' THR . 0.6 OUTLIER -56.85 -35.24 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.558 HG22 ' O ' ' B' ' 281' ' ' MET . 8.8 t 44.76 -160.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 283' ' ' SER . . . . . 0.585 ' O ' ' C ' ' B' ' 284' ' ' ILE . 7.2 t -77.78 22.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.725 HG21 ' HB ' ' A' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.476 ' C ' ' SG ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.549 ' HA ' ' CG1' ' A' ' 253' ' ' ILE . 0.7 OUTLIER 47.16 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 154.46 52.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.57 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.54 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.669 HG21 HD11 ' B' ' 253' ' ' ILE . 5.9 mm -82.89 -27.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.82 -52.48 20.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.5 -47.2 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' B' ' 257' ' ' GLU . 1.7 tp -49.58 -58.52 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 -52.87 -41.04 63.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 278' ' ' LEU . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' MET . . . . . 1.092 ' HG3' HD11 ' A' ' 284' ' ' ILE . 2.1 tpt -73.4 -7.5 51.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 283' ' ' SER . 13.1 t -48.18 155.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.686 ' C ' ' O ' ' A' ' 282' ' ' THR . 43.7 t 4.27 96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 1.092 HD11 ' HG3' ' A' ' 281' ' ' MET . 3.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 248' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.992 ' HB3' HD13 ' B' ' 253' ' ' ILE . 69.8 m 46.42 -97.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.683 ' HA3' HD11 ' B' ' 253' ' ' ILE . . . -160.61 -38.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 251' ' ' LYS . . . . . 0.525 ' H ' HD12 ' B' ' 253' ' ' ILE . 0.0 OUTLIER 175.13 -85.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 252' ' ' SER . . . . . 0.492 ' O ' ' N ' ' B' ' 254' ' ' ASP . 3.6 m -125.76 30.69 5.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' B' ' 249' ' ' CYS . 2.5 mp -32.99 -37.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 254' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 252' ' ' SER . 17.5 m-20 -58.72 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 255' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 4.0 m-20 -60.33 -21.1 61.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER -66.13 -77.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 256' ' ' LEU . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 259' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.768 ' HB2' HD12 ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.707 ' CE ' HD22 ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 265' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 265' ' ' LEU . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.468 ' O ' HG22 ' B' ' 270' ' ' ILE . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.477 HG23 ' N ' ' B' ' 271' ' ' SER . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.596 HD21 ' SD ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.846 ' O ' HG22 ' B' ' 282' ' ' THR . 0.1 OUTLIER -79.68 4.12 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.846 HG22 ' O ' ' B' ' 281' ' ' MET . 7.2 t 53.93 165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.0 88.26 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.639 ' HB ' HD12 ' A' ' 284' ' ' ILE . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 253' ' ' ILE . 0.3 OUTLIER 88.13 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -177.62 -31.4 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -155.62 -84.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.5 p -139.31 54.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.809 ' CG1' HG21 ' B' ' 253' ' ' ILE . 3.0 mp -83.31 -34.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.69 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -29.53 4.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' B' ' 257' ' ' GLU . 0.0 OUTLIER -63.06 -69.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.35 -43.64 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 266' ' ' LYS . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.561 HD12 ' CB ' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 275' ' ' ASP . . . . . 0.542 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.609 HD12 ' HB1' ' B' ' 277' ' ' ALA . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.588 ' O ' ' CG1' ' A' ' 284' ' ' ILE . 3.4 ptm -95.35 8.38 43.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 281' ' ' MET . 5.3 t 45.71 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 19.6 t -90.06 86.63 6.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.734 HD12 ' HB ' ' B' ' 284' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 248' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' B' ' 250' ' ' GLY . 0.7 OUTLIER -38.87 -52.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . -164.1 31.43 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.39 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 252' ' ' SER . . . . . 0.404 ' C ' HD13 ' B' ' 253' ' ' ILE . 5.6 m -148.3 76.2 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.809 HG21 ' CG1' ' A' ' 253' ' ' ILE . 2.9 mm -85.13 -31.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -52.22 -67.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.38 -23.79 1.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -68.47 -58.77 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.562 ' HA ' HD21 ' A' ' 256' ' ' LEU . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.627 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.627 ' CE ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 265' ' ' LEU . . . . . 1.045 HD22 ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.846 ' N ' HD13 ' B' ' 265' ' ' LEU . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 269' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 269' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.561 ' CB ' HD12 ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 275' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.609 ' HB1' HD12 ' A' ' 278' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 279' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.483 ' HE3' ' O ' ' A' ' 282' ' ' THR . 42.2 tpp -89.11 -23.75 22.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 282' ' ' THR . 0.5 OUTLIER 81.29 20.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 283' ' ' SER . . . . . 0.511 ' HA ' ' CE ' ' A' ' 281' ' ' MET . 0.4 OUTLIER 40.4 69.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 284' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 253' ' ' ILE . 19.7 p 44.24 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 250' ' ' GLY . . . . . 0.61 ' N ' HD11 ' A' ' 253' ' ' ILE . . . 158.44 37.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 250' ' ' GLY . 0.1 OUTLIER -177.05 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.9 t -154.53 86.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.929 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 249' ' ' CYS . 1.7 mp -75.42 -29.62 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.381 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.31 -62.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -52.76 -25.11 10.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.48 HD11 HD13 ' B' ' 260' ' ' LEU . 0.2 OUTLIER -65.84 -52.42 50.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD23 ' B' ' 256' ' ' LEU . 2.0 mt-10 -62.17 -30.51 71.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.509 HD22 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.41 ' HG2' ' NZ ' ' B' ' 264' ' ' LYS . 0.9 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.509 ' CE ' HD22 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 266' ' ' LYS . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 270' ' ' ILE . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.586 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.757 ' HE3' HD11 ' B' ' 284' ' ' ILE . 0.1 OUTLIER -81.08 -2.95 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.618 ' OG1' ' N ' ' A' ' 283' ' ' SER . 1.3 t 42.29 -168.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 283' ' ' SER . . . . . 0.864 ' C ' HD12 ' A' ' 284' ' ' ILE . 0.9 OUTLIER -91.59 2.3 56.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.91 HG21 ' HB ' ' B' ' 284' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.559 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 59.6 m -145.47 -133.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 250' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' B' ' 251' ' ' LYS . . . -120.59 -13.63 5.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 251' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' B' ' 250' ' ' GLY . 1.2 mttp 165.17 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 252' ' ' SER . . . . . 0.485 ' C ' HD13 ' B' ' 253' ' ' ILE . 31.8 p -121.17 55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.794 ' N ' HD13 ' B' ' 253' ' ' ILE . 0.4 OUTLIER -85.06 -29.58 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.01 -53.24 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 255' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 34.4 m-20 -67.55 -35.39 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' B' ' 253' ' ' ILE . 5.7 mp -59.03 -70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 259' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.619 HD21 ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.619 ' HE3' HD21 ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.52 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.413 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.768 ' HE3' HD11 ' A' ' 284' ' ' ILE . 0.2 OUTLIER -89.4 7.86 33.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.763 HG23 ' H ' ' B' ' 284' ' ' ILE . 14.9 t 31.15 -148.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 283' ' ' SER . . . . . 0.591 ' C ' HD12 ' B' ' 284' ' ' ILE . 5.1 t -108.2 22.3 16.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.91 ' HB ' HG21 ' A' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' CYS . . . . . 0.523 ' CB ' HG13 ' A' ' 253' ' ' ILE . 35.9 t 60.1 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 250' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 248' ' ' GLY . . . -162.18 26.63 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.39 -93.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.8 72.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 253' ' ' ILE . . . . . 0.969 HG21 ' CG1' ' B' ' 253' ' ' ILE . 40.8 mm -86.51 -34.85 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -42.99 -62.45 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -27.85 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 256' ' ' LEU . . . . . 0.652 ' HG ' HD12 ' B' ' 260' ' ' LEU . 0.3 OUTLIER -63.08 -68.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.532 ' HG2' HD23 ' B' ' 256' ' ' LEU . 10.2 mt-10 -45.41 -43.53 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 260' ' ' LEU . . . . . 0.495 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 264' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 267' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 270' ' ' ILE . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.802 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 274' ' ' LEU . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 281' ' ' MET . . . . . 0.825 ' O ' HG22 ' A' ' 282' ' ' THR . 3.1 tpp -88.62 -6.83 57.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 282' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 281' ' ' MET . 7.9 t 53.11 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.74 86.87 6.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 284' ' ' ILE . . . . . 0.517 HG21 ' HB ' ' B' ' 284' ' ' ILE . 1.4 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 249' ' ' CYS . . . . . 0.838 ' HB3' HD13 ' B' ' 253' ' ' ILE . 76.2 m -105.34 -49.36 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 117.97 28.69 2.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -176.32 -128.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 99.0 p -125.81 37.83 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 253' ' ' ILE . . . . . 0.969 ' CG1' HG21 ' A' ' 253' ' ' ILE . 1.8 mp -54.71 -29.17 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -59.17 -68.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.64 -22.66 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 256' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 257' ' ' GLU . 0.4 OUTLIER -65.42 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 256' ' ' LEU . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 259' ' ' GLU . . . . . 0.472 ' HG2' ' HZ2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 260' ' ' LEU . . . . . 0.652 HD12 ' HG ' ' A' ' 256' ' ' LEU . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.48 ' CE ' HD22 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 266' ' ' LYS . . . . . 0.554 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 267' ' ' TYR . . . . . 0.474 ' C ' HG22 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 270' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 270' ' ' ILE . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 271' ' ' SER . . . . . 0.525 ' N ' HG23 ' B' ' 270' ' ' ILE . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 273' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 274' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 277' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 278' ' ' LEU . . . . . 0.576 HD21 ' HE1' ' A' ' 281' ' ' MET . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.732 ' O ' ' O ' ' B' ' 282' ' ' THR . 5.6 ttm -116.17 49.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 282' ' ' THR . . . . . 0.732 ' O ' ' O ' ' B' ' 281' ' ' MET . 0.4 OUTLIER -38.87 -179.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 283' ' ' SER . . . . . 0.646 ' N ' HG23 ' B' ' 282' ' ' THR . 30.9 t -65.87 53.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 284' ' ' ILE . . . . . 0.882 HD12 ' N ' ' B' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.451 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.577 ' HE2' HD23 ' B' ' 278' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.454 ' HA ' HG22 ' B' ' 270' ' ' ILE . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.625 HG22 ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.41 ' N ' HG23 ' B' ' 270' ' ' ILE . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.577 HD23 ' HE2' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.415 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 2.4 tpp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 1.012 ' HG2' HD21 ' B' ' 256' ' ' LEU . 34.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 267' ' ' TYR . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.888 HD13 ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.585 ' O ' ' HE3' ' B' ' 281' ' ' MET . 9.2 ttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 1.012 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.829 ' HB2' HD12 ' A' ' 260' ' ' LEU . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 4.9 tp-100 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.647 ' HE3' HD21 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . 0.684 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.403 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.723 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.888 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.585 ' HE3' ' O ' ' A' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 0.663 ' HA ' HD11 ' B' ' 256' ' ' LEU . 26.2 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.47 HD12 HD13 ' B' ' 256' ' ' LEU . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' B' ' 267' ' ' TYR . 1.2 tp-100 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.842 HD12 HG12 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 274' ' ' LEU . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . 0.507 HD13 ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.485 ' HE3' ' O ' ' B' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' B' ' 264' ' ' LYS . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.755 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' B' ' 271' ' ' SER . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 270' ' ' ILE . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.634 ' HB2' HD22 ' A' ' 274' ' ' LEU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.507 ' HE2' HD13 ' A' ' 278' ' ' LEU . 1.2 tpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' B' ' 271' ' ' SER . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.545 HD12 ' HG ' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' B' ' 278' ' ' LEU . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.511 ' O ' ' CG ' ' A' ' 281' ' ' MET . 3.3 ptm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 260' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 261' ' ' TYR . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.613 HD13 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.613 ' CE ' HD13 ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 270' ' ' ILE . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 266' ' ' LYS . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 270' ' ' ILE . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.655 ' C ' HD23 ' B' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.625 HD12 ' HB1' ' A' ' 277' ' ' ALA . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.443 ' HG2' ' SD ' ' A' ' 281' ' ' MET . 1.7 tpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.848 ' HB2' HD12 ' B' ' 260' ' ' LEU . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.607 ' CE ' HD22 ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 270' ' ' ILE . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' B' ' 278' ' ' LEU . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . 0.523 HD21 ' C ' ' B' ' 277' ' ' ALA . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.591 ' HB3' ' HE1' ' B' ' 281' ' ' MET . 1.2 tpp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 256' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 260' ' ' LEU . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.6 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.448 ' HA ' HG22 ' B' ' 270' ' ' ILE . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.6 HG22 ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.523 ' C ' HD21 ' A' ' 278' ' ' LEU . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.442 ' CD1' ' HB1' ' A' ' 277' ' ' ALA . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.591 ' HE1' ' HB3' ' A' ' 281' ' ' MET . 1.3 ptm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 0.8 ' HG2' HD21 ' B' ' 256' ' ' LEU . 47.6 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 270' ' ' ILE . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.765 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.885 ' HB2' HD12 ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' B' ' 261' ' ' TYR . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.724 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . 0.556 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.509 ' O ' HG22 ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.441 ' N ' HG23 ' B' ' 270' ' ' ILE . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 278' ' ' LEU . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.675 ' O ' ' HE3' ' B' ' 281' ' ' MET . 2.1 tpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 263' ' ' GLN . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.768 ' HB2' HD12 ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.707 ' CE ' HD22 ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 265' ' ' LEU . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.468 ' O ' HG22 ' B' ' 270' ' ' ILE . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.477 HG23 ' N ' ' B' ' 271' ' ' SER . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.596 HD21 ' SD ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.675 ' HE3' ' O ' ' A' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 266' ' ' LYS . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.561 HD12 ' CB ' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . 0.542 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . 0.609 HD12 ' HB1' ' B' ' 277' ' ' ALA . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.448 ' SD ' ' HG2' ' B' ' 281' ' ' MET . 3.4 ptm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.627 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.627 ' CE ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . 1.045 HD22 ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.846 ' N ' HD13 ' B' ' 265' ' ' LEU . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 269' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.561 ' CB ' HD12 ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.609 ' HB1' HD12 ' A' ' 278' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.448 ' HG2' ' SD ' ' A' ' 281' ' ' MET . 42.2 tpp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD23 ' B' ' 256' ' ' LEU . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.509 HD22 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.481 ' NE2' ' HZ1' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.509 ' CE ' HD22 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 266' ' ' LYS . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 270' ' ' ILE . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.586 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.53 ' HG2' ' HG2' ' B' ' 281' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.606 HD23 ' HG2' ' A' ' 257' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.619 HD21 ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.619 ' HE3' HD21 ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.52 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.413 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.53 ' HG2' ' HG2' ' A' ' 281' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' GLU . . . . . 0.532 ' HG2' HD23 ' B' ' 256' ' ' LEU . 10.2 mt-10 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' LEU . . . . . 0.495 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 270' ' ' ILE . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' GLU . . . . . 0.802 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 274' ' ' LEU . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' MET . . . . . 0.683 ' HE3' ' O ' ' B' ' 281' ' ' MET . 3.1 tpp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 256' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 257' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 259' ' ' GLU . . . . . 0.472 ' HG2' ' HZ2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 260' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.48 ' CE ' HD22 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 266' ' ' LYS . . . . . 0.554 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 267' ' ' TYR . . . . . 0.474 ' C ' HG22 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 270' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 270' ' ' ILE . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 271' ' ' SER . . . . . 0.525 ' N ' HG23 ' B' ' 270' ' ' ILE . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 273' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 274' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 277' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 278' ' ' LEU . . . . . 0.576 HD21 ' HE1' ' A' ' 281' ' ' MET . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 281' ' ' MET . . . . . 0.683 ' O ' ' HE3' ' A' ' 281' ' ' MET . 5.6 ttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.523 ' HA2' HG22 ' A' ' 253' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.902 ' HB3' HD13 ' A' ' 253' ' ' ILE . 1.7 t 47.35 -154.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -135.37 38.37 1.81 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -141.51 -81.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 40.9 p -151.04 37.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 1.07 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.902 HD13 ' HB3' ' A' ' 249' ' ' CYS . 2.0 mp -86.52 -31.34 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -45.6 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.0 -25.61 31.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' B' ' 257' ' ' GLU . 0.2 OUTLIER -68.02 -60.58 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.26 -36.44 63.59 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.57 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.598 1.186 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -30.43 61.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.508 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.2 OUTLIER -64.91 -73.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.4 -36.86 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.68 75.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.97 -26.06 67.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.508 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 16.0 mmtt -73.2 -60.24 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.34 -25.12 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -30.02 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.451 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.4 t80 -69.05 -38.61 79.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -83.4 -33.12 25.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.93 -30.4 65.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 267' ' ' TYR . 10.3 tt -80.19 -45.61 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 5.7 t -55.86 -46.97 78.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -54.03 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 46.8 tt0 -55.19 -26.46 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' B' ' 274' ' ' LEU . 7.8 tt -73.8 -61.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.95 -40.39 60.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -32.45 63.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -60.83 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.44 -43.93 13.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.0 OUTLIER -55.65 -36.36 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -74.89 -30.65 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.857 ' O ' HG22 ' A' ' 282' ' ' THR . 0.1 OUTLIER -77.0 -53.7 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.857 HG22 ' O ' ' A' ' 281' ' ' MET . 6.6 t 55.11 160.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 19.7 t -54.19 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.789 HD11 ' HG3' ' A' ' 281' ' ' MET . 1.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' B' ' 253' ' ' ILE . 51.6 m -117.41 -77.45 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -167.26 -35.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 -90.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 3.4 m -134.36 82.93 2.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 109.944 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.7 HG13 HG21 ' A' ' 253' ' ' ILE . 1.4 mp -80.55 -38.37 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -48.71 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -22.42 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 253' ' ' ILE . 0.2 OUTLIER -66.2 -60.84 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 256' ' ' LEU . 2.6 mt-10 -53.75 -36.64 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.29 -66.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -31.57 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.34 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' B' ' 264' ' ' LYS . 0.2 OUTLIER -64.68 -66.29 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -42.68 -48.75 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.93 86.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -26.36 68.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' B' ' 260' ' ' LEU . 12.0 mmtt -69.15 -56.42 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.43 -28.22 66.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.5 -28.68 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.454 ' HA ' HG22 ' B' ' 270' ' ' ILE . 63.8 t80 -75.23 -30.0 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 272' ' ' GLU . 0.9 OUTLIER -85.14 -35.94 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.07 68.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.625 HG22 ' O ' ' B' ' 266' ' ' LYS . 0.6 OUTLIER -79.51 -48.18 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.41 ' N ' HG23 ' B' ' 270' ' ' ILE . 45.3 t -57.3 -37.4 72.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.958 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 268' ' ' LYS . 0.6 OUTLIER -72.25 -56.75 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.4 tt0 -55.76 -24.31 34.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 274' ' ' LEU . 4.6 tt -75.21 -62.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.2 OUTLIER -54.14 -41.28 68.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.06 -34.99 73.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.56 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -59.62 -36.27 76.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.577 HD23 ' HE2' ' A' ' 281' ' ' MET . 0.5 OUTLIER -85.97 -37.43 19.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 1.3 tptt -61.29 -34.93 76.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.65 -33.22 72.47 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.691 ' O ' HG22 ' B' ' 282' ' ' THR . 2.4 tpp -88.74 -8.94 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.691 HG22 ' O ' ' B' ' 281' ' ' MET . 1.3 t 55.01 164.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 7.4 t -81.39 85.62 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.401 ' HA2' ' HB ' ' A' ' 253' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.582 ' SG ' ' C ' ' B' ' 249' ' ' CYS . 0.5 OUTLIER -64.12 -68.26 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . 0.527 ' O ' ' CD ' ' A' ' 251' ' ' LYS . . . 159.28 80.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 250' ' ' GLY . 9.5 tptt 172.65 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 0.759 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 83.1 p -142.65 22.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.923 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.752 HG23 HG13 ' B' ' 253' ' ' ILE . 1.8 mm -63.94 -50.54 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 253' ' ' ILE . 1.4 m-20 -35.32 -61.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -46.86 79.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' B' ' 257' ' ' GLU . 0.3 OUTLIER -52.78 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 1.012 ' HG2' HD21 ' B' ' 256' ' ' LEU . 34.4 mt-10 -43.37 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -41.52 -65.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.19 -28.89 43.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -65.54 -77.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -42.23 -46.17 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.13 76.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.401 ' OE1' ' CG ' ' B' ' 267' ' ' TYR . 7.3 tp-100 -65.99 -27.15 67.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.512 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 55.1 mmtt -67.56 -57.14 7.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 0.1 OUTLIER -65.37 -24.28 67.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -29.21 39.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.491 ' O ' HG22 ' A' ' 270' ' ' ILE . 19.0 t80 -72.04 -39.92 68.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -82.15 -30.77 30.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 267' ' ' TYR . 2.7 tt -80.18 -43.48 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.357 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 80.1 p -57.78 -46.99 83.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.85 -57.42 5.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 4.0 tt0 -53.96 -24.33 16.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.888 HD13 ' HG ' ' B' ' 274' ' ' LEU . 4.7 tp -75.25 -62.19 1.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -38.16 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -35.17 62.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.92 -39.59 78.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.592 1.182 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 282' ' ' THR . 0.2 OUTLIER -82.83 -42.73 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -37.42 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.84 -33.04 30.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.908 ' CG ' HD11 ' A' ' 284' ' ' ILE . 9.2 ttt -80.95 -1.82 45.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.691 ' O ' ' C ' ' A' ' 283' ' ' SER . 15.2 t -51.36 156.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.691 ' C ' ' O ' ' A' ' 282' ' ' THR . 46.8 t 3.72 98.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.908 HD11 ' CG ' ' A' ' 281' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' B' ' 253' ' ' ILE . 0.5 OUTLIER 87.55 -55.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.581 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . 125.3 28.19 1.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.616 1.197 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 249' ' ' CYS . 0.6 OUTLIER -163.02 -96.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.07 42.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.752 HG13 HG23 ' A' ' 253' ' ' ILE . 0.4 OUTLIER -55.37 -24.17 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.76 -67.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -50.22 -24.5 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 1.012 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.3 tp -68.88 -56.51 7.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.789 ' HG2' HD21 ' A' ' 256' ' ' LEU . 31.8 mt-10 -59.79 -26.77 66.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.49 -71.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -31.92 27.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.829 ' HB2' HD12 ' A' ' 260' ' ' LEU . 10.1 tt -64.87 -72.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 6.0 m-85 -38.38 -47.2 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.41 82.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' B' ' 260' ' ' LEU . 4.9 tp-100 -61.77 -25.95 67.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.647 ' HE3' HD21 ' B' ' 260' ' ' LEU . 7.5 mmtt -69.34 -53.8 17.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . 0.684 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.1 OUTLIER -61.35 -30.32 70.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.403 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.8 OUTLIER -77.41 -30.66 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' B' ' 267' ' ' TYR . 0.6 OUTLIER -71.43 -35.83 71.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -33.82 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -78.91 -50.07 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.9 OUTLIER -51.38 -41.13 60.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -72.56 -57.04 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.723 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 11.5 tt0 -53.33 -24.88 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.888 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.0 tt -76.42 -60.36 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.71 -40.26 65.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -37.62 66.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.646 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -57.32 -36.61 71.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.42 ' HG ' ' SD ' ' A' ' 281' ' ' MET . 0.0 OUTLIER -85.48 -41.26 15.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -36.89 63.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.89 -29.39 67.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.647 ' O ' HG22 ' B' ' 282' ' ' THR . 0.0 OUTLIER -87.75 17.8 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 281' ' ' MET . 14.9 t 47.63 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.452 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.6 t -112.67 81.21 1.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.607 HG12 HG23 ' B' ' 282' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' B' ' 249' ' ' CYS . 0.1 OUTLIER 173.91 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 76.97 0.29 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.81 -61.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 80.1 p -112.32 -2.35 14.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.553 HG21 ' CG1' ' B' ' 253' ' ' ILE . 1.1 tp -69.89 -25.96 29.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 0.0 109.22 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -46.46 -65.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.85 -22.26 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 253' ' ' ILE . 0.1 OUTLIER -70.47 -60.32 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.663 ' HA ' HD11 ' B' ' 256' ' ' LEU . 26.2 mt-10 -53.87 -31.7 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -72.0 -66.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 263' ' ' GLN . 1.6 tp10 -49.21 -33.86 13.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.47 HD12 HD13 ' B' ' 256' ' ' LEU . 0.1 OUTLIER -64.62 -62.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.07 -46.2 33.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.66 95.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' B' ' 267' ' ' TYR . 1.2 tp-100 -63.43 -28.73 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 10.9 mmtt -69.72 -59.58 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.81 -25.67 68.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -81.06 -28.24 35.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 270' ' ' ILE . 3.0 t80 -72.97 -34.35 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -84.15 -34.76 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.02 65.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.842 HD12 HG12 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.4 -47.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 9.1 t -55.59 -44.38 76.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -71.23 -50.19 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.81 -33.46 66.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 274' ' ' LEU . 0.2 OUTLIER -68.87 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.1 OUTLIER -50.79 -37.87 44.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -72.35 -32.7 66.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.533 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 274' ' ' LEU . . . -61.71 -35.72 78.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' B' ' 281' ' ' MET . 0.2 OUTLIER -85.49 -43.38 13.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.3 OUTLIER -57.52 -34.91 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.79 -31.06 71.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.505 ' O ' ' O ' ' A' ' 282' ' ' THR . 0.0 OUTLIER -88.04 18.62 4.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.834 HG23 ' H ' ' A' ' 284' ' ' ILE . 15.1 t 33.34 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 284' ' ' ILE . 38.5 t -106.03 22.56 15.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.834 ' H ' HG23 ' A' ' 282' ' ' THR . 3.9 mm . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 249' ' ' CYS . 5.9 p -105.77 140.6 38.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 109.98 66.68 0.56 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -171.29 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 1.5 m -115.14 -19.12 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.553 ' CG1' HG21 ' A' ' 253' ' ' ILE . 0.6 OUTLIER -57.34 -38.44 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.91 -61.66 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -19.95 15.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 257' ' ' GLU . 0.3 OUTLIER -68.1 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.476 ' HA ' HD21 ' A' ' 256' ' ' LEU . 6.3 mt-10 -53.1 -38.66 62.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -68.27 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.36 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' B' ' 264' ' ' LYS . 1.7 tm? -67.73 -75.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -38.13 -46.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.95 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 260' ' ' LEU . 7.9 tp-100 -59.94 -29.08 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.4 mmtt -65.85 -56.99 8.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.28 -28.64 65.15 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.755 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -78.05 -28.55 48.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' B' ' 271' ' ' SER . 38.1 t80 -74.05 -31.83 63.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -85.5 -35.02 21.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.8 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 270' ' ' ILE . 0.5 OUTLIER -77.25 -55.58 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.268 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.1 p -48.69 -41.31 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 274' ' ' LEU . 1.3 tp10 -71.6 -67.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.653 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.8 tt0 -44.46 -26.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.634 ' HB2' HD22 ' A' ' 274' ' ' LEU . 2.3 tp -74.43 -63.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -37.21 50.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.226 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -33.45 60.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.39 -38.25 83.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.37 -38.48 18.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' B' ' 282' ' ' THR . 0.0 OUTLIER -51.89 -42.47 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.51 -23.96 66.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.571 ' HA ' HD11 ' B' ' 284' ' ' ILE . 1.2 tpt -93.68 12.71 24.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.635 1.209 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.685 ' O ' ' C ' ' B' ' 283' ' ' SER . 7.4 t -50.58 143.32 9.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . 0.685 ' C ' ' O ' ' B' ' 282' ' ' THR . 13.4 t 8.58 96.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.731 ' HB ' HG21 ' A' ' 284' ' ' ILE . 1.4 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.516 ' HB2' ' HB ' ' A' ' 253' ' ' ILE . 87.0 m 72.18 -65.68 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -129.0 -20.48 1.46 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 16.2 mttt 165.42 -72.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.471 ' C ' HD23 ' A' ' 256' ' ' LEU . 0.3 OUTLIER -125.25 9.29 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.883 HG21 ' HB2' ' B' ' 249' ' ' CYS . 11.1 mt -37.39 -53.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 258' ' ' ASP . 0.2 OUTLIER -39.97 -48.71 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 252' ' ' SER . 33.6 t0 -69.76 -37.48 76.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' B' ' 257' ' ' GLU . 3.5 mm? -56.78 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -46.5 -48.96 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 254' ' ' ASP . 3.3 m-20 -50.57 -71.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 255' ' ' ASP . 0.1 OUTLIER -53.47 -28.14 28.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.677 HD21 ' HE3' ' A' ' 264' ' ' LYS . 7.0 tt -64.54 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -41.35 -37.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.13 -45.28 74.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 267' ' ' TYR . 0.7 OUTLIER -63.1 -24.94 68.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.677 ' HE3' HD21 ' A' ' 260' ' ' LEU . 16.0 mmtt -74.0 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.55 -26.15 68.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -81.86 -28.62 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 263' ' ' GLN . 5.3 t80 -71.25 -36.73 71.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -84.42 -31.91 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.56 -29.58 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' B' ' 271' ' ' SER . 3.5 tt -80.85 -44.02 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 75.9 p -58.43 -49.94 75.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.74 -51.88 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 2.7 tt0 -55.51 -33.2 63.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.545 HD12 ' HG ' ' B' ' 274' ' ' LEU . 0.2 OUTLIER -66.55 -63.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.3 OUTLIER -51.41 -38.52 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.27 -29.31 64.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.625 ' HB1' HD12 ' B' ' 278' ' ' LEU . . . -67.18 -36.01 80.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -34.02 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 1.3 mttm -69.12 -33.69 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.534 ' O ' ' C ' ' A' ' 282' ' ' THR . 3.3 ptm -111.42 27.96 9.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 111.035 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.872 HG23 ' H ' ' A' ' 284' ' ' ILE . 5.4 t 27.04 -135.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 284' ' ' ILE . 12.1 t -121.12 14.37 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.872 ' H ' HG23 ' A' ' 282' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.883 ' HB2' HG21 ' A' ' 253' ' ' ILE . 17.8 p -172.87 99.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 253' ' ' ILE . . . 112.48 44.63 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.68 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 34.7 m -127.33 37.46 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.606 1.191 . . . . 0.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 253' ' ' ILE . 3.8 tp -74.35 -18.78 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.74 -61.69 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -30.65 60.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 260' ' ' LEU . 1.1 tm? -63.67 -51.39 65.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 256' ' ' LEU . 2.3 mt-10 -56.94 -33.8 67.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.32 -72.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.22 -42.57 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.613 HD13 ' CE ' ' B' ' 264' ' ' LYS . 0.0 OUTLIER -60.06 -55.24 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' B' ' 257' ' ' GLU . 0.1 OUTLIER -43.81 -49.53 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.15 92.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -32.26 73.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.613 ' CE ' HD13 ' B' ' 260' ' ' LEU . 23.0 mttt -67.87 -50.96 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -29.79 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 270' ' ' ILE . 10.6 tttt -79.08 -28.84 43.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.9 t80 -73.08 -32.61 65.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.16 24.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.89 72.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 266' ' ' LYS . 12.6 tt -79.81 -45.56 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.559 ' HA ' HD11 ' A' ' 270' ' ' ILE . 13.4 t -56.23 -45.4 79.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -51.49 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.1 tt0 -57.25 -25.12 58.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.655 ' C ' HD23 ' B' ' 274' ' ' LEU . 4.6 tt -74.75 -60.89 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -37.97 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -30.45 57.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.592 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -63.45 -37.37 87.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.625 HD12 ' HB1' ' A' ' 277' ' ' ALA . 4.0 tt -85.02 -46.79 10.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -55.36 -35.15 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.95 -29.32 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.698 ' O ' HG22 ' B' ' 282' ' ' THR . 1.7 tpp -94.48 -23.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.698 HG22 ' O ' ' B' ' 281' ' ' MET . 14.1 t 49.29 179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 26.1 t -80.28 86.29 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.527 HG21 ' HB ' ' A' ' 284' ' ' ILE . 1.8 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.065 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' B' ' 257' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.623 ' CB ' HD13 ' A' ' 253' ' ' ILE . 29.3 p -69.43 129.82 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 112.78 44.47 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 176.16 -84.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 255' ' ' ASP . 1.0 OUTLIER -131.43 51.09 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.017 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.623 HD13 ' CB ' ' A' ' 249' ' ' CYS . 0.4 OUTLIER -40.33 -36.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -54.38 -53.1 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 252' ' ' SER . 35.6 t70 -60.72 -24.98 66.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.977 HD13 HD13 ' B' ' 260' ' ' LEU . 0.2 OUTLIER -61.81 -57.19 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.41 -40.26 86.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.46 -67.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.14 -35.0 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.848 ' HB2' HD12 ' B' ' 260' ' ' LEU . 0.0 OUTLIER -62.93 -60.78 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -48.86 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -61.89 -36.49 81.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.12 -32.34 73.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.607 ' CE ' HD22 ' A' ' 260' ' ' LEU . 18.1 mttt -69.29 -58.76 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.43 -24.73 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 270' ' ' ILE . 18.3 tptt -80.68 -28.77 36.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 270' ' ' ILE . 1.5 t80 -73.94 -35.35 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.68 -32.62 23.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -74.31 -30.58 62.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 266' ' ' LYS . 7.5 tt -79.79 -45.94 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.382 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 270' ' ' ILE . 6.3 t -56.99 -49.29 76.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -48.13 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -57.48 -32.74 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 274' ' ' LEU . 2.4 tt -66.46 -61.51 1.96 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.2 OUTLIER -53.99 -37.45 64.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -31.21 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' B' ' 278' ' ' LEU . . . -72.3 -35.96 68.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.523 HD21 ' C ' ' B' ' 277' ' ' ALA . 0.2 OUTLIER -81.78 -27.03 33.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -27.83 36.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.51 -22.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.561 ' HB3' ' CE ' ' B' ' 281' ' ' MET . 1.2 tpp -103.61 -37.59 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 281' ' ' MET . 0.7 OUTLIER 46.47 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 282' ' ' THR . 9.1 t -72.73 89.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.577 ' CG2' HG21 ' B' ' 284' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.506 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 66.4 m 65.47 -107.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . -140.93 -35.12 0.11 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.65 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 6.2 m -132.53 36.55 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.802 ' HA ' HD22 ' B' ' 256' ' ' LEU . 1.3 mm -53.97 -27.0 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 253' ' ' ILE . 8.5 m-20 -37.73 -60.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 0.7 OUTLIER -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.076 . . . . 0.0 109.355 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 253' ' ' ILE . 1.0 OUTLIER -56.11 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' B' ' 253' ' ' ILE . 20.9 mt-10 -42.61 -53.75 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 0.2 OUTLIER -44.14 -30.2 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.977 HD13 HD13 ' A' ' 256' ' ' LEU . 0.3 OUTLIER -70.45 -75.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -37.57 -37.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.33 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' B' ' 260' ' ' LEU . 1.6 mp0 -64.84 -24.59 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' B' ' 260' ' ' LEU . 55.3 mmtt -70.64 -60.13 2.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.02 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.6 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.1 OUTLIER -80.84 -28.51 36.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.448 ' HA ' HG22 ' B' ' 270' ' ' ILE . 56.2 t80 -75.48 -33.21 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -36.59 22.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.27 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.6 HG22 ' O ' ' B' ' 266' ' ' LYS . 1.5 tt -80.89 -44.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 30.0 t -56.53 -47.84 78.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.0 -52.94 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 2.4 tt0 -54.92 -28.91 54.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.1 tt -70.85 -60.58 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -54.85 -42.62 72.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -34.81 78.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.568 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.523 ' C ' HD21 ' A' ' 278' ' ' LEU . . . -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.442 ' CD1' ' HB1' ' A' ' 277' ' ' ALA . 0.2 OUTLIER -85.56 -26.54 26.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -73.51 -34.26 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.62 -40.18 65.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.828 ' O ' HG22 ' B' ' 282' ' ' THR . 1.3 ptm -97.77 -2.19 41.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.828 HG22 ' O ' ' B' ' 281' ' ' MET . 12.9 t 52.98 165.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 1.3 t -76.34 85.21 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.577 HG21 ' CG2' ' A' ' 284' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.606 ' HB3' ' CG1' ' A' ' 253' ' ' ILE . 1.8 t 89.06 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 251' ' ' LYS . . . -174.07 -37.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 250' ' ' GLY . 2.7 mttt 163.25 -73.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 253' ' ' ILE . 37.2 m -126.44 32.46 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.797 HG21 HG12 ' B' ' 253' ' ' ILE . 5.0 mm -36.0 -43.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.31 -60.61 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 252' ' ' SER . 78.6 m-20 -54.33 -27.81 38.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.739 HD13 ' HG ' ' B' ' 260' ' ' LEU . 0.2 OUTLIER -60.67 -70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.8 ' HG2' HD21 ' B' ' 256' ' ' LEU . 47.6 mt-10 -44.69 -46.04 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.547 ' O ' ' CD2' ' A' ' 261' ' ' TYR . 0.1 OUTLIER -56.7 -69.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -51.97 -20.39 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.648 HD23 ' HE3' ' A' ' 264' ' ' LYS . 0.7 OUTLIER -67.8 -78.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 262' ' ' ALA . 0.4 OUTLIER -40.88 -40.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . 0.633 ' N ' ' CD1' ' A' ' 261' ' ' TYR . . . -64.12 -43.18 96.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 260' ' ' LEU . 0.9 OUTLIER -63.06 -26.33 68.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.648 ' HE3' HD23 ' A' ' 260' ' ' LEU . 5.9 mmtt -72.56 -61.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.39 -24.3 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 270' ' ' ILE . 10.0 ttmm -82.29 -28.34 31.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -73.51 -36.4 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -84.03 -33.39 24.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.377 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.92 65.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.8 tt -80.49 -46.2 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.1 p -56.08 -46.14 79.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -54.88 14.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.765 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 5.2 tt0 -55.2 -23.56 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.885 ' HB2' HD12 ' B' ' 274' ' ' LEU . 7.5 tt -75.44 -61.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -38.52 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -35.08 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -57.83 -38.74 76.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -40.63 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -54.76 -37.5 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.0 -32.17 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.533 ' HE3' ' O ' ' B' ' 282' ' ' THR . 1.6 tpp -94.17 17.76 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.438 ' O ' ' CE ' ' B' ' 281' ' ' MET . 0.0 OUTLIER 46.58 -173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 284' ' ' ILE . 9.4 t -105.74 3.74 29.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.725 ' HB ' HG21 ' B' ' 284' ' ' ILE . 4.8 mm . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' B' ' 253' ' ' ILE . 0.5 OUTLIER 51.44 -149.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' B' ' 251' ' ' LYS . . . -141.46 49.73 0.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' B' ' 250' ' ' GLY . 0.0 OUTLIER 178.33 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 10.1 m -148.23 24.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 253' ' ' ILE . 3.0 mp -53.06 -19.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.612 1.195 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.34 -69.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.22 -22.04 3.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 257' ' ' GLU . 5.4 tp -64.21 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 256' ' ' LEU . 7.5 mt-10 -59.85 -25.73 65.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -69.17 -66.45 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.01 -35.76 67.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.739 ' HG ' HD13 ' A' ' 256' ' ' LEU . 0.5 OUTLIER -62.66 -65.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' B' ' 257' ' ' GLU . 1.7 m-85 -41.97 -44.71 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.65 89.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.45 -23.05 67.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' B' ' 260' ' ' LEU . 7.0 mmtt -72.11 -58.21 3.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . 0.556 ' O ' HD12 ' B' ' 265' ' ' LEU . 0.2 OUTLIER -61.52 -25.91 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.509 ' O ' HG22 ' B' ' 270' ' ' ILE . 22.3 ttmt -81.99 -28.28 32.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -74.21 -32.81 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -85.56 -36.95 20.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.55 67.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 266' ' ' LYS . 6.5 tt -81.06 -50.04 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.441 ' N ' HG23 ' B' ' 270' ' ' ILE . 29.9 t -54.87 -44.59 74.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -58.67 3.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 30.5 tt0 -52.09 -26.17 10.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 274' ' ' LEU . 7.6 tt -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.1 OUTLIER -54.69 -42.98 72.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -37.34 84.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -61.52 -35.09 76.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.95 -32.66 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -65.77 -34.79 78.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.87 -40.43 65.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.558 ' O ' HG22 ' B' ' 282' ' ' THR . 0.6 OUTLIER -56.85 -35.24 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.558 HG22 ' O ' ' B' ' 281' ' ' MET . 8.8 t 44.76 -160.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . 0.585 ' O ' ' C ' ' B' ' 284' ' ' ILE . 7.2 t -77.78 22.32 0.27 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.725 HG21 ' HB ' ' A' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.476 ' C ' ' SG ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.549 ' HA ' ' CG1' ' A' ' 253' ' ' ILE . 0.7 OUTLIER 47.16 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . 154.46 52.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.57 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.54 52.81 2.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.669 HG21 HD11 ' B' ' 253' ' ' ILE . 5.9 mm -82.89 -27.04 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.82 -52.48 20.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.5 -47.2 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' B' ' 257' ' ' GLU . 1.7 tp -49.58 -58.52 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' B' ' 256' ' ' LEU . 46.2 mt-10 -52.87 -41.04 63.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.41 -65.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -21.89 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' B' ' 260' ' ' LEU . 0.6 OUTLIER -68.57 -59.05 3.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.75 -41.63 82.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.94 91.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -58.14 -38.01 75.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.509 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 9.6 mttt -65.7 -49.43 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 269' ' ' ALA . 6.2 mp -63.67 -24.98 68.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.59 ' O ' HG22 ' A' ' 270' ' ' ILE . 0.1 OUTLIER -81.38 -27.93 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 267' ' ' TYR . 4.2 t80 -73.74 -38.12 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -84.84 -33.51 22.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 265' ' ' LEU . . . -71.02 -32.52 69.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 266' ' ' LYS . 3.9 tt -79.68 -47.14 22.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 54.3 p -55.13 -44.92 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.4 -58.85 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.735 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 6.4 tt0 -53.91 -23.06 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' B' ' 274' ' ' LEU . 3.5 tp -74.68 -62.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 279' ' ' LYS . 0.2 OUTLIER -55.48 -39.54 70.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -39.28 72.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -55.81 -37.52 68.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 278' ' ' LEU . 0.2 OUTLIER -84.59 -39.78 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.0 OUTLIER -54.08 -39.03 65.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -81.36 -30.54 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 1.092 ' HG3' HD11 ' A' ' 284' ' ' ILE . 2.1 tpt -73.4 -7.5 51.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.686 ' O ' ' C ' ' A' ' 283' ' ' SER . 13.1 t -48.18 155.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.686 ' C ' ' O ' ' A' ' 282' ' ' THR . 43.7 t 4.27 96.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 1.092 HD11 ' HG3' ' A' ' 281' ' ' MET . 3.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.992 ' HB3' HD13 ' B' ' 253' ' ' ILE . 69.8 m 46.42 -97.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.683 ' HA3' HD11 ' B' ' 253' ' ' ILE . . . -160.61 -38.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . 0.525 ' H ' HD12 ' B' ' 253' ' ' ILE . 0.0 OUTLIER 175.13 -85.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . 0.492 ' O ' ' N ' ' B' ' 254' ' ' ASP . 3.6 m -125.76 30.69 5.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.992 HD13 ' HB3' ' B' ' 249' ' ' CYS . 2.5 mp -32.99 -37.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 252' ' ' SER . 17.5 m-20 -58.72 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 4.0 m-20 -60.33 -21.1 61.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.517 ' CD2' ' HG2' ' A' ' 257' ' ' GLU . 0.0 OUTLIER -66.13 -77.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD21 ' A' ' 256' ' ' LEU . 4.4 mt-10 -45.26 -32.74 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -70.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 5.8 tt0 -51.01 -28.87 10.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.768 ' HB2' HD12 ' A' ' 260' ' ' LEU . 0.0 OUTLIER -67.45 -67.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -47.51 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.01 99.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -61.15 -25.31 66.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.707 ' CE ' HD22 ' B' ' 260' ' ' LEU . 21.9 mttt -74.24 -54.87 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' B' ' 265' ' ' LEU . 2.3 mm? -62.81 -28.73 70.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.468 ' O ' HG22 ' B' ' 270' ' ' ILE . 5.2 tmtm? -83.59 -26.21 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 271' ' ' SER . 5.0 t80 -72.34 -37.36 68.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.72 -35.26 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -67.17 -32.41 73.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.477 HG23 ' N ' ' B' ' 271' ' ' SER . 1.4 tt -79.52 -52.82 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.477 ' N ' HG23 ' B' ' 270' ' ' ILE . 0.2 OUTLIER -46.58 -48.49 19.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.26 -58.82 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.062 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 35.3 tt0 -51.39 -21.42 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 274' ' ' LEU . 4.1 tt -78.18 -58.64 3.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.3 OUTLIER -56.28 -40.61 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -36.64 70.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -60.27 -35.81 76.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.596 HD21 ' SD ' ' A' ' 281' ' ' MET . 1.1 mt -84.72 -38.28 19.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -60.51 -34.6 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.97 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.846 ' O ' HG22 ' B' ' 282' ' ' THR . 0.1 OUTLIER -79.68 4.12 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.846 HG22 ' O ' ' B' ' 281' ' ' MET . 7.2 t 53.93 165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.0 88.26 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.639 ' HB ' HD12 ' A' ' 284' ' ' ILE . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 253' ' ' ILE . 0.3 OUTLIER 88.13 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . . . . . . . . . . . -177.62 -31.4 0.05 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -155.62 -84.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 2.5 p -139.31 54.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.809 ' CG1' HG21 ' B' ' 253' ' ' ILE . 3.0 mp -83.31 -34.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.69 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -29.53 4.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' B' ' 257' ' ' GLU . 0.0 OUTLIER -63.06 -69.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.35 -43.64 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -65.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.436 ' HG2' ' NE2' ' A' ' 263' ' ' GLN . 7.0 tt0 -54.93 -28.29 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 264' ' ' LYS . 0.3 OUTLIER -63.86 -75.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -46.09 -32.87 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 266' ' ' LYS . . . -68.64 -48.19 64.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.436 ' NE2' ' HG2' ' A' ' 259' ' ' GLU . 1.8 mp0 -60.56 -27.12 67.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 260' ' ' LEU . 15.4 mmtt -70.96 -65.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.73 -22.66 66.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 262' ' ' ALA . 0.0 OUTLIER -82.28 -29.51 31.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 264' ' ' LYS . 22.4 t80 -69.93 -37.05 75.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -32.96 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 273' ' ' GLU . . . -74.13 -29.12 61.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 266' ' ' LYS . 8.3 tt -80.87 -42.32 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 12.8 t -58.85 -50.26 74.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.86 -53.99 15.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 269' ' ' ALA . 27.4 tt0 -55.1 -30.66 60.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.561 HD12 ' CB ' ' B' ' 274' ' ' LEU . 6.1 tt -67.85 -63.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . 0.542 ' N ' HD23 ' A' ' 274' ' ' LEU . 0.1 OUTLIER -51.04 -40.11 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 280' ' ' ASP . 0.2 OUTLIER -72.46 -26.92 62.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -69.37 -34.5 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.609 HD12 ' HB1' ' B' ' 277' ' ' ALA . 1.4 tt -86.17 -35.24 20.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 275' ' ' ASP . 0.2 OUTLIER -71.03 -31.53 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.381 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 276' ' ' HIS . 23.7 t0 -59.83 -37.25 78.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.588 ' O ' ' CG1' ' A' ' 284' ' ' ILE . 3.4 ptm -95.35 8.38 43.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.075 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 281' ' ' MET . 5.3 t 45.71 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 19.6 t -90.06 86.63 6.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.734 HD12 ' HB ' ' B' ' 284' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' B' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' B' ' 250' ' ' GLY . 0.7 OUTLIER -38.87 -52.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' B' ' 249' ' ' CYS . . . -164.1 31.43 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.39 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . 0.404 ' C ' HD13 ' B' ' 253' ' ' ILE . 5.6 m -148.3 76.2 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.809 HG21 ' CG1' ' A' ' 253' ' ' ILE . 2.9 mm -85.13 -31.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -52.22 -67.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.38 -23.79 1.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 260' ' ' LEU . 0.1 OUTLIER -68.47 -58.77 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.562 ' HA ' HD21 ' A' ' 256' ' ' LEU . 14.6 mt-10 -51.52 -34.96 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.58 -73.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -42.8 12.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.627 HD22 ' CE ' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -59.2 -56.42 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.65 -52.89 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.43 79.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.3 OUTLIER -66.93 -30.53 70.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.627 ' CE ' HD22 ' B' ' 260' ' ' LEU . 39.5 mttt -68.18 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . 1.045 HD22 ' O ' ' B' ' 265' ' ' LEU . 0.0 OUTLIER -53.77 -29.38 39.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.846 ' N ' HD13 ' B' ' 265' ' ' LEU . 0.0 OUTLIER -79.26 -28.62 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 264' ' ' LYS . 11.1 t80 -73.06 -32.54 65.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -84.23 -34.42 23.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 273' ' ' GLU . . . -70.42 -30.76 67.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 270' ' ' ILE . 0.6 OUTLIER -80.31 -49.27 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.265 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.421 ' N ' HG23 ' B' ' 270' ' ' ILE . 1.6 p -54.98 -42.86 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -68.93 -56.13 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 269' ' ' ALA . 2.2 tt0 -53.06 -35.37 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.561 ' CB ' HD12 ' A' ' 274' ' ' LEU . 5.8 tt -65.12 -62.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 279' ' ' LYS . 0.6 OUTLIER -49.59 -38.6 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' B' ' 280' ' ' ASP . 4.1 m-70 -72.07 -26.68 62.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.609 ' HB1' HD12 ' A' ' 278' ' ' LEU . . . -68.77 -35.19 76.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.0 8.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 275' ' ' ASP . 0.0 OUTLIER -62.13 -29.79 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' B' ' 276' ' ' HIS . 3.2 t0 -60.54 -28.86 68.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.483 ' HE3' ' O ' ' A' ' 282' ' ' THR . 42.2 tpp -89.11 -23.75 22.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 282' ' ' THR . 0.5 OUTLIER 81.29 20.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . 0.511 ' HA ' ' CE ' ' A' ' 281' ' ' MET . 0.4 OUTLIER 40.4 69.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 284' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 249' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.697 ' HA ' HD11 ' A' ' 253' ' ' ILE . 19.7 p 44.24 94.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . 0.61 ' N ' HD11 ' A' ' 253' ' ' ILE . . . 158.44 37.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 250' ' ' GLY . 0.1 OUTLIER -177.05 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 1.9 t -154.53 86.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.929 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 249' ' ' CYS . 1.7 mp -75.42 -29.62 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.381 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.31 -62.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -52.76 -25.11 10.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.48 HD11 HD13 ' B' ' 260' ' ' LEU . 0.2 OUTLIER -65.84 -52.42 50.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.606 ' HG2' HD23 ' B' ' 256' ' ' LEU . 2.0 mt-10 -62.17 -30.51 71.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -71.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.02 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.509 HD22 ' CE ' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -61.63 -54.44 42.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.226 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 257' ' ' GLU . 0.2 OUTLIER -46.8 -49.42 19.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.78 79.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.481 ' NE2' ' HZ1' ' B' ' 264' ' ' LYS . 0.1 OUTLIER -56.42 -32.64 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.252 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.509 ' CE ' HD22 ' A' ' 260' ' ' LEU . 15.2 mttt -67.08 -50.75 60.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -27.74 68.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 270' ' ' ILE . 1.1 tptt -79.96 -28.75 39.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -74.3 -33.92 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -84.63 -34.47 23.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 273' ' ' GLU . . . -71.32 -31.64 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 266' ' ' LYS . 4.2 tt -79.32 -48.19 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 270' ' ' ILE . 22.6 t -54.73 -44.47 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.97 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 18.3 tt0 -60.23 -25.09 65.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.586 ' CG ' HD12 ' B' ' 274' ' ' LEU . 4.5 tt -75.94 -60.65 2.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -39.01 63.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.32 -31.16 58.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.54 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.58 -37.8 87.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -44.83 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -35.83 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.95 -31.43 70.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.757 ' HE3' HD11 ' B' ' 284' ' ' ILE . 0.1 OUTLIER -81.08 -2.95 50.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.618 ' OG1' ' N ' ' A' ' 283' ' ' SER . 1.3 t 42.29 -168.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . 0.864 ' C ' HD12 ' A' ' 284' ' ' ILE . 0.9 OUTLIER -91.59 2.3 56.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.91 HG21 ' HB ' ' B' ' 284' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.559 ' HB3' ' CG1' ' B' ' 253' ' ' ILE . 59.6 m -145.47 -133.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' B' ' 251' ' ' LYS . . . -120.59 -13.63 5.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' B' ' 250' ' ' GLY . 1.2 mttp 165.17 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . 0.485 ' C ' HD13 ' B' ' 253' ' ' ILE . 31.8 p -121.17 55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.794 ' N ' HD13 ' B' ' 253' ' ' ILE . 0.4 OUTLIER -85.06 -29.58 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.01 -53.24 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' B' ' 259' ' ' GLU . 34.4 m-20 -67.55 -35.39 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' B' ' 253' ' ' ILE . 5.7 mp -59.03 -70.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -47.84 -41.43 23.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -74.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.383 1.052 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 255' ' ' ASP . 3.4 tt0 -43.9 -27.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.619 HD21 ' HE3' ' B' ' 264' ' ' LYS . 7.1 tt -64.86 -76.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -42.48 -35.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.63 72.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 260' ' ' LEU . 0.0 OUTLIER -63.74 -27.79 69.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.619 ' HE3' HD21 ' B' ' 260' ' ' LEU . 19.3 mmtt -70.25 -59.36 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -25.25 67.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.604 1.19 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.52 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.6 OUTLIER -80.12 -28.51 38.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.413 ' HA ' HG22 ' B' ' 270' ' ' ILE . 3.2 t80 -74.7 -34.83 62.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -83.96 -34.48 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 266' ' ' LYS . 5.3 tt -81.45 -41.93 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . . . . . . . . . 83.7 p -58.83 -47.16 85.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.27 -49.84 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 34.5 tt0 -57.79 -27.17 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 274' ' ' LEU . 9.0 tt -73.59 -60.95 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -39.02 60.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -74.56 -32.19 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.616 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.08 -36.0 80.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -42.95 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -33.86 69.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.27 -28.98 65.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.768 ' HE3' HD11 ' A' ' 284' ' ' ILE . 0.2 OUTLIER -89.4 7.86 33.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.763 HG23 ' H ' ' B' ' 284' ' ' ILE . 14.9 t 31.15 -148.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . 0.591 ' C ' HD12 ' B' ' 284' ' ' ILE . 5.1 t -108.2 22.3 16.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.91 ' HB ' HG21 ' A' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 250' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' CYS . . . . . 0.523 ' CB ' HG13 ' A' ' 253' ' ' ILE . 35.9 t 60.1 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 248' ' ' GLY . . . -162.18 26.63 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.39 -93.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.8 72.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' ILE . . . . . 0.969 HG21 ' CG1' ' B' ' 253' ' ' ILE . 40.8 mm -86.51 -34.85 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -42.99 -62.45 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -27.85 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . 0.652 ' HG ' HD12 ' B' ' 260' ' ' LEU . 0.3 OUTLIER -63.08 -68.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.532 ' HG2' HD23 ' B' ' 256' ' ' LEU . 10.2 mt-10 -45.41 -43.53 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -70.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -25.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' LEU . . . . . 0.495 ' CD2' ' HE3' ' A' ' 264' ' ' LYS . 0.6 OUTLIER -67.17 -75.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -41.22 -40.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.45 92.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 260' ' ' LEU . 5.6 tp-100 -63.84 -31.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.327 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 260' ' ' LEU . 41.5 mmtt -66.29 -57.98 6.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.53 -25.24 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' B' ' 267' ' ' TYR . 0.0 OUTLIER -78.24 -30.39 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' TYR . . . . . 0.506 ' O ' HG22 ' A' ' 270' ' ' ILE . 46.7 t80 -70.53 -38.6 74.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -82.89 -32.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' ILE . . . . . 0.795 HD13 ' O ' ' A' ' 270' ' ' ILE . 0.1 OUTLIER -79.31 -47.42 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' SER . . . . . . . . . . . . . 68.6 m -54.66 -47.07 74.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.53 -49.5 59.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.802 ' O ' ' HB2' ' A' ' 277' ' ' ALA . 2.9 tt0 -57.93 -24.94 60.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 274' ' ' LEU . 9.8 tt -75.63 -60.23 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -37.16 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -78.28 -28.34 47.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.604 1.19 . . . . 0.0 109.621 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 273' ' ' GLU . . . -62.2 -39.87 94.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.41 ' HG ' ' SD ' ' B' ' 281' ' ' MET . 0.3 OUTLIER -85.48 -45.79 11.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -53.65 -36.61 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.37 -31.42 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' MET . . . . . 0.825 ' O ' HG22 ' A' ' 282' ' ' THR . 3.1 tpp -88.62 -6.83 57.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 281' ' ' MET . 7.9 t 53.11 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.74 86.87 6.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' ILE . . . . . 0.517 HG21 ' HB ' ' B' ' 284' ' ' ILE . 1.4 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 249' ' ' CYS . . . . . 0.838 ' HB3' HD13 ' B' ' 253' ' ' ILE . 76.2 m -105.34 -49.36 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 250' ' ' GLY . . . . . . . . . . . . . . . 117.97 28.69 2.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 251' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -176.32 -128.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 99.0 p -125.81 37.83 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 253' ' ' ILE . . . . . 0.969 ' CG1' HG21 ' A' ' 253' ' ' ILE . 1.8 mp -54.71 -29.17 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 254' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -59.17 -68.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.64 -22.66 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 257' ' ' GLU . 0.4 OUTLIER -65.42 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 256' ' ' LEU . 5.8 mt-10 -49.11 -34.1 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 258' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -62.35 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 259' ' ' GLU . . . . . 0.472 ' HG2' ' HZ2' ' A' ' 264' ' ' LYS . 0.0 OUTLIER -57.16 -26.05 59.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' LEU . . . . . 0.652 HD12 ' HG ' ' A' ' 256' ' ' LEU . 0.0 OUTLIER -68.08 -71.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 261' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -42.6 -47.1 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 262' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.87 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.461 ' OE1' ' NZ ' ' A' ' 264' ' ' LYS . 1.2 mp0 -62.62 -29.09 70.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.48 ' CE ' HD22 ' B' ' 260' ' ' LEU . 23.0 mmtt -66.37 -61.1 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 265' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' B' ' 265' ' ' LEU . 0.9 OUTLIER -56.87 -27.71 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.231 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 266' ' ' LYS . . . . . 0.554 ' O ' HG22 ' B' ' 270' ' ' ILE . 0.0 OUTLIER -79.26 -28.25 42.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 267' ' ' TYR . . . . . 0.474 ' C ' HG22 ' B' ' 270' ' ' ILE . 18.8 t80 -74.26 -30.6 62.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 268' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -38.72 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.92 69.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 270' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 270' ' ' ILE . 0.9 OUTLIER -77.64 -55.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 271' ' ' SER . . . . . 0.525 ' N ' HG23 ' B' ' 270' ' ' ILE . 3.5 p -50.72 -43.59 58.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 272' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.06 -48.4 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 273' ' ' GLU . . . . . 0.637 ' O ' ' HB2' ' B' ' 277' ' ' ALA . 1.7 tt0 -58.46 -25.83 62.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 274' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 270' ' ' ILE . 6.9 tt -75.27 -57.21 4.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 275' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.76 69.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -36.49 61.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' B' ' 273' ' ' GLU . . . -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . 0.576 HD21 ' HE1' ' A' ' 281' ' ' MET . 1.6 tt -76.02 -41.83 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.02 -44.49 61.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.63 -20.64 64.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.732 ' O ' ' O ' ' B' ' 282' ' ' THR . 5.6 ttm -116.17 49.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . 0.732 ' O ' ' O ' ' B' ' 281' ' ' MET . 0.4 OUTLIER -38.87 -179.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' SER . . . . . 0.646 ' N ' HG23 ' B' ' 282' ' ' THR . 30.9 t -65.87 53.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.047 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' ILE . . . . . 0.882 HD12 ' N ' ' B' ' 284' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 stop_ save_