data_2k0g_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 2k0g _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 ' 227' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 11.5 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 228' ' ' GLN . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . 0.437 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.654 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.57 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.57 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 317' ' ' VAL . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.498 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.471 ' O ' ' CG1' ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 298' ' ' GLU . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 283' ' ' ALA . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 279' ' ' SER . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 274' ' ' PHE . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.406 HD23 ' CD2' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.437 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . 0.412 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.495 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.495 ' CD1' ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 240' ' ' GLY . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 248' ' ' VAL . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.462 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.467 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.476 ' N ' HG13 ' A' ' 317' ' ' VAL . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.595 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.595 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.483 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 279' ' ' SER . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 330' ' ' LEU . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 247' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.431 ' CG2' ' CE2' ' A' ' 341' ' ' PHE . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 244' ' ' LEU . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 230' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.443 ' CG2' HD23 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.534 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.506 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 274' ' ' PHE . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.439 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.499 ' N ' HG13 ' A' ' 317' ' ' VAL . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 281' ' ' SER . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' SER . . . . . 0.406 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.491 ' HB ' ' CB ' ' A' ' 287' ' ' PRO . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.601 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.601 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.491 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 274' ' ' PHE . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 279' ' ' SER . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.538 ' CD2' ' HB1' ' A' ' 325' ' ' ALA . 56.0 t60 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.403 ' CB ' HD21 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . 0.538 ' HB1' ' CD2' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 322' ' ' LEU . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.434 HG21 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.405 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 302' ' ' ILE . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.405 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.465 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 12.2 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 244' ' ' LEU . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . 0.446 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.624 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.471 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 279' ' ' SER . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 279' ' ' SER . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.454 HD21 ' CA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.439 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.467 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 240' ' ' GLY . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 243' ' ' VAL . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . 0.41 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.427 HG23 ' CE2' ' A' ' 273' ' ' PHE . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.489 ' N ' HG11 ' A' ' 317' ' ' VAL . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.595 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.595 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.49 ' HE3' ' CG ' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.489 HG11 ' N ' ' A' ' 279' ' ' SER . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.41 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.425 ' N ' HD11 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 238' ' ' LYS . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.425 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.49 ' CG ' ' HE3' ' A' ' 299' ' ' MET . 35.9 ttt-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.421 ' CD2' ' HB ' ' A' ' 233' ' ' VAL . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . 0.432 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.566 HD22 ' CH2' ' A' ' 227' ' ' TRP . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 244' ' ' LEU . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 322' ' ' LEU . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 307' ' ' ARG . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 318' ' ' SER . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.413 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 317' ' ' VAL . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.608 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.608 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.463 ' CG ' HD11 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.463 HD11 ' CG ' ' A' ' 298' ' ' GLU . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 265' ' ' ILE . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 279' ' ' SER . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.3 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.44 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 330' ' ' LEU . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.432 HG21 ' CD ' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.432 ' CD ' HG21 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.461 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.463 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.575 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . 0.455 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 307' ' ' ARG . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 307' ' ' ARG . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.463 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 317' ' ' VAL . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 281' ' ' SER . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.49 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 298' ' ' GLU . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.444 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.479 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.503 ' CG2' ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.479 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.4 ' NH1' ' OE2' ' A' ' 298' ' ' GLU . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.438 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.513 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . 0.477 ' CB ' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.529 HG21 ' CE2' ' A' ' 273' ' ' PHE . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 307' ' ' ARG . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.545 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.545 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.434 ' N ' HG11 ' A' ' 317' ' ' VAL . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.497 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.594 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.594 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.492 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.458 ' CG ' HD11 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 327' ' ' PHE . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.458 HD11 ' CG ' ' A' ' 298' ' ' GLU . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.476 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 279' ' ' SER . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 326' ' ' ASP . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 322' ' ' LEU . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 295' ' ' PHE . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.435 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.473 ' CG1' ' CD1' ' A' ' 244' ' ' LEU . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.548 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 234' ' ' PRO . 0.6 OUTLIER -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 230' ' ' VAL . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' THR . . . . . 0.4 ' OG1' ' OG ' ' A' ' 318' ' ' SER . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.501 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 322' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.477 ' N ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.495 HG13 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.597 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.597 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 296' ' ' PHE . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.437 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 279' ' ' SER . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 239' ' ' LEU . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 238' ' ' LYS . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . 0.502 ' CB ' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.494 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.437 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.574 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.455 ' CG1' HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.429 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.5 OUTLIER -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.574 HD22 ' CH2' ' A' ' 227' ' ' TRP . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.563 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.521 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.574 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.563 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 317' ' ' VAL . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.492 HG11 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.484 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.441 ' CD2' ' CB ' ' A' ' 324' ' ' SER . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 265' ' ' ILE . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.485 ' CG2' ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.485 ' CD2' ' CG2' ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.441 ' CB ' ' CD2' ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . 0.407 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 329' ' ' MET . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 235' ' ' LEU . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.583 HG23 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 299' ' ' MET . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 343' ' ' LYS . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.416 ' N ' HD12 ' A' ' 346' ' ' LEU . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.454 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.437 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 251' ' ' LEU . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 244' ' ' LEU . 95.4 mm-40 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 236' ' ' PHE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . . . . . . . . . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.609 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.518 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.5 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.609 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 317' ' ' VAL . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.492 HG13 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 298' ' ' GLU . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.428 ' CB ' ' HA ' ' A' ' 265' ' ' ILE . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.518 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' THR . . . . . . . . . . . . . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 279' ' ' SER . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.459 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.407 ' CB ' HD12 ' A' ' 322' ' ' LEU . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.401 ' HG2' ' C ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.425 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 349' ' ' ARG . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.425 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.573 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.417 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 244' ' ' LEU . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 227' ' ' TRP . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 243' ' ' VAL . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . 0.451 ' CB ' ' CG ' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . 0.432 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 307' ' ' ARG . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.56 ' HE2' ' CZ ' ' A' ' 274' ' ' PHE . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.573 ' CE2' HG21 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 272' ' ' MET . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.434 ' CG2' ' HG ' ' A' ' 320' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.429 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 279' ' ' SER . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.434 ' HG ' ' CG2' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 325' ' ' ALA . 39.7 t60 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.451 ' CG ' ' CB ' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . 0.405 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 348' ' ' ARG . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . 0.431 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.472 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.574 ' HE2' ' CZ ' ' A' ' 274' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 317' ' ' VAL . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.503 HG11 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.601 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.601 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 327' ' ' PHE . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 279' ' ' SER . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 274' ' ' PHE . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.433 ' CB ' HD23 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.431 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.468 ' O ' ' CD ' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 349' ' ' ARG . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.473 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.477 ' CD1' HG13 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.579 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . 0.446 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.512 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.428 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.53 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.449 ' N ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.496 HG13 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.599 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.599 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 271' ' ' ARG . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 298' ' ' GLU . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.446 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.512 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 279' ' ' SER . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.532 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 238' ' ' LYS . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' TRP . . . . . 0.435 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 236' ' ' PHE . . . . . 0.45 ' CD2' ' HB ' ' A' ' 233' ' ' VAL . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' PRO . . . . . 0.509 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.514 ' CD1' ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' A' ' 244' ' ' LEU . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 251' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 230' ' ' VAL . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 256' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 258' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 262' ' ' ILE . . . . . 0.648 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 263' ' ' CYS . . . . . 0.481 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 307' ' ' ARG . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 265' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 307' ' ' ARG . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' ARG . . . . . 0.431 ' CA ' HD13 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' MET . . . . . 0.583 ' HE3' ' CZ ' ' A' ' 274' ' ' PHE . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' PHE . . . . . 0.648 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' PHE . . . . . 0.583 ' CZ ' ' HE3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' SER . . . . . 0.487 ' N ' HG13 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' ALA . . . . . 0.598 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' THR . . . . . 0.598 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.431 HD13 ' CA ' ' A' ' 271' ' ' ARG . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 298' ' ' GLU . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' THR . . . . . 0.425 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 279' ' ' SER . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 274' ' ' PHE . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . 0.514 ' OD2' ' CD1' ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 349' ' ' ARG . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' ARG . . . . . 0.475 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' ARG . . . . . 0.435 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 28.6 ptt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 57.3 p -100.24 158.22 16.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 53.87 100.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.31 61.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.01 -40.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.62 51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 42.21 58.71 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.18 -36.67 34.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -40.38 72.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.37 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.431 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 13.0 t80 -67.76 -33.09 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 12.4 t -72.94 -36.79 52.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -34.44 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.36 -30.78 67.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -49.51 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 11.5 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 228' ' ' GLN . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . 0.437 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.654 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.57 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.57 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 317' ' ' VAL . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.498 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.471 ' O ' ' CG1' ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 298' ' ' GLU . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 283' ' ' ALA . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 279' ' ' SER . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 274' ' ' PHE . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.406 HD23 ' CD2' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.437 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . 0.412 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.495 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.495 ' CD1' ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 -67.12 -40.83 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 351' ' ' ALA . . . -170.9 -114.02 0.31 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 350' ' ' GLY . . . 79.57 8.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -142.09 -49.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -62.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 35.2 t -41.65 -54.1 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.616 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.08 134.75 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.797 . . . . 0.0 109.963 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.51 172.03 10.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.89 62.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.14 -56.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -158.86 43.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.446 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 0.0 OUTLIER -86.51 66.34 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -76.4 -38.73 32.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.98 70.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 0.726 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.518 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 32.6 t80 -66.89 -30.79 71.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 60.0 t -70.06 -44.84 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.82 78.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -68.69 -30.25 68.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.518 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.11 -39.93 96.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 240' ' ' GLY . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 248' ' ' VAL . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.462 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.467 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.476 ' N ' HG13 ' A' ' 317' ' ' VAL . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.595 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.595 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 341' ' ' PHE . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.483 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 279' ' ' SER . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 330' ' ' LEU . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 247' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.431 ' CG2' ' CE2' ' A' ' 341' ' ' PHE . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 -67.69 -43.49 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -157.58 -123.03 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . 59.41 19.14 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.256 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.78 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -45.47 113.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.1 m -43.91 149.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.597 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.48 141.45 4.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 0.72 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -77.79 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -130.14 63.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.45 -52.41 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -162.54 51.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 46.6 58.92 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.258 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -37.06 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.45 -35.71 60.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 40.1 t80 -69.37 -32.74 71.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.62 -40.18 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -69.36 -34.71 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -71.1 -30.83 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -64.07 -48.5 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 244' ' ' LEU . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 230' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.443 ' CG2' HD23 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.534 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.506 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 274' ' ' PHE . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.439 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.499 ' N ' HG13 ' A' ' 317' ' ' VAL . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 281' ' ' SER . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' SER . . . . . 0.406 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.491 ' HB ' ' CB ' ' A' ' 287' ' ' PRO . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.601 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.601 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.491 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 274' ' ' PHE . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.405 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.506 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 279' ' ' SER . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.538 ' CD2' ' HB1' ' A' ' 325' ' ' ALA . 56.0 t60 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.403 ' CB ' HD21 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . 0.538 ' HB1' ' CD2' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 322' ' ' LEU . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 239' ' ' LEU . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.434 HG21 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.405 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 302' ' ' ILE . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.424 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.405 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 -69.56 -45.37 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -152.73 -122.56 0.94 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . 57.43 18.82 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -46.16 152.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 75.79 -73.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.61 103.84 15.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.596 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 3.1 m -169.23 168.25 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 76.27 -57.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -73.83 72.37 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 219' ' ' ARG . 39.0 t -114.79 26.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 218' ' ' VAL . 29.2 ttt180 86.0 36.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 49.78 60.99 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.73 -36.05 2.11 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.34 -33.36 55.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.429 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 19.9 t80 -69.66 -31.23 69.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.39 -44.06 72.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 228' ' ' GLN . 0.0 OUTLIER -67.56 -34.62 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -70.04 -30.08 67.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.465 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.26 -47.07 83.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 12.2 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 244' ' ' LEU . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . 0.446 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' THR . . . . . 0.41 ' OG1' ' OG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.624 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.471 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 279' ' ' SER . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.407 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 279' ' ' SER . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.454 HD21 ' CA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.439 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.467 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 34.3 ptt180 -70.42 -42.27 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 351' ' ' ALA . . . -165.3 -122.42 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 350' ' ' GLY . . . 83.69 -69.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.14 134.25 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . 63.98 -158.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.76 -85.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.616 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 95.2 p -139.13 132.94 30.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.87 115.58 30.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.38 69.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 95.2 t -87.62 -58.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -157.12 44.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.442 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 0.0 OUTLIER 46.42 59.55 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -35.51 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.44 -37.41 60.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 46.7 t80 -67.3 -30.86 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 76.9 t -69.54 -44.11 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -34.33 77.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -68.82 -29.82 68.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -62.06 -39.91 94.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.46 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.403 HD13 ' CG2' ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 240' ' ' GLY . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 243' ' ' VAL . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . 0.41 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.427 HG23 ' CE2' ' A' ' 273' ' ' PHE . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.489 ' N ' HG11 ' A' ' 317' ' ' VAL . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.595 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.595 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.49 ' HE3' ' CG ' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.479 ' NH1' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.489 HG11 ' N ' ' A' ' 279' ' ' SER . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.41 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.425 ' N ' HD11 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 238' ' ' LYS . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.425 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.49 ' CG ' ' HE3' ' A' ' 299' ' ' MET . 35.9 ttt-85 -68.77 -45.19 72.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -148.13 -119.99 1.1 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . 51.62 33.97 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 66.49 144.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -47.49 153.29 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.5 m 65.25 162.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.603 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.0 t -159.09 153.28 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.96 70.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 38.56 68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.35 -58.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -149.67 33.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -114.83 61.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -81.66 -36.0 20.83 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.458 1.098 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.05 -38.42 66.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.439 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 10.2 t80 -66.69 -31.4 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.33 -42.59 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.23 -31.31 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.566 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.13 -41.31 97.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 107.994 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.421 ' CD2' ' HB ' ' A' ' 233' ' ' VAL . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . 0.432 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.566 HD22 ' CH2' ' A' ' 227' ' ' TRP . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 244' ' ' LEU . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 322' ' ' LEU . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 307' ' ' ARG . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 318' ' ' SER . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.413 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 317' ' ' VAL . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.608 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.608 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.463 ' CG ' HD11 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.463 HD11 ' CG ' ' A' ' 298' ' ' GLU . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.489 ' NH1' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.404 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 279' ' ' SER . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.3 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.44 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 330' ' ' LEU . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.432 HG21 ' CD ' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.432 ' CD ' HG21 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 45.1 ptt85 -69.4 -43.53 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.486 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -162.0 -124.01 0.69 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 350' ' ' GLY . . . 81.94 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -50.92 163.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -40.31 -61.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.87 145.34 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.604 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 61.2 m 46.52 82.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -163.57 76.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.49 67.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.18 -40.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -54.37 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -87.42 59.14 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -110.3 -36.5 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -34.15 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.53 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 29.3 t80 -70.19 -31.47 68.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.28 -41.18 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -34.46 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.91 -30.12 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.53 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.87 -48.84 75.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.463 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.575 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . 0.455 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 307' ' ' ARG . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 307' ' ' ARG . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.463 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 317' ' ' VAL . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 281' ' ' SER . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.49 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 298' ' ' GLU . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.499 ' NE ' " O5'" ' A' ' 370' ' ' CMP . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.444 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.479 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.503 ' CG2' ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.479 ' CB ' ' CD1' ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 351' ' ' ALA . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.533 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.4 ' NH1' ' OE2' ' A' ' 298' ' ' GLU . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -69.98 -46.03 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 160.21 74.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . -47.93 -41.16 24.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -49.1 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 59.01 161.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.214 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.06 103.59 9.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.595 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.74 144.37 34.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -151.44 111.49 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.77 84.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.505 ' O ' ' CD ' ' A' ' 219' ' ' ARG . 78.7 t -129.61 37.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 218' ' ' VAL . 0.0 OUTLIER 78.1 28.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.427 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 0.0 OUTLIER 54.86 65.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.3 -45.0 1.03 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 226' ' ' ASN . 12.4 m-20 -74.15 -33.34 63.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 28.1 t80 -71.38 -30.63 66.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 49.7 t -70.6 -41.62 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.49 -34.74 77.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 222' ' ' ASP . 3.2 m-20 -69.39 -30.77 68.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.521 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.61 -43.89 95.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.438 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.43 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.513 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . 0.477 ' CB ' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.529 HG21 ' CE2' ' A' ' 273' ' ' PHE . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 307' ' ' ARG . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.545 ' HE1' ' CZ ' ' A' ' 274' ' ' PHE . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.545 ' CZ ' ' HE1' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.434 ' N ' HG11 ' A' ' 317' ' ' VAL . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.497 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.594 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.594 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.492 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.458 ' CG ' HD11 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 327' ' ' PHE . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.458 HD11 ' CG ' ' A' ' 298' ' ' GLU . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.484 ' NH1' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.424 ' OG ' ' O1P' ' A' ' 370' ' ' CMP . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.476 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 279' ' ' SER . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 326' ' ' ASP . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 322' ' ' LEU . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . 0.406 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.472 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 295' ' ' PHE . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.496 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 19.5 ptt180 -68.39 -42.99 78.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -158.36 -126.19 0.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 352' ' ' ALA . . . 66.73 20.81 10.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 351' ' ' ALA . . . 80.36 73.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -165.74 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 144.92 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.618 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 168.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.972 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -55.06 155.85 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.62 65.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 79.6 t -94.01 -47.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -47.68 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.429 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 4.9 mmt-85 -78.09 58.8 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -106.96 -38.39 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -35.92 64.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -68.62 -30.97 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 75.9 t -70.08 -43.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -67.12 -34.23 77.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.07 -30.84 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.435 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.24 -39.75 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.473 ' CG1' ' CD1' ' A' ' 244' ' ' LEU . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 341' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.548 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 234' ' ' PRO . 0.6 OUTLIER -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 230' ' ' VAL . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' THR . . . . . 0.4 ' OG1' ' OG ' ' A' ' 318' ' ' SER . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.501 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 322' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.477 ' N ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.495 HG13 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.597 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.597 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 296' ' ' PHE . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.437 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.516 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.422 ' OG ' ' O1P' ' A' ' 370' ' ' CMP . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 279' ' ' SER . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 239' ' ' LEU . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 238' ' ' LYS . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . 0.502 ' CB ' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.494 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.519 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.437 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 -70.12 -45.57 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 162.04 78.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . -63.53 -32.07 73.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -105.39 126.04 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 63.71 98.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 30.3 t -176.0 88.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.592 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.7 m -125.98 160.93 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -171.09 124.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.65 60.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.7 p -75.1 -36.23 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.39 56.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.22 60.36 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.31 -31.27 52.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.4 -41.56 47.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.49 -35.47 80.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.88 -39.35 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -31.99 70.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.574 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -43.51 94.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 107.983 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.455 ' CG1' HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.429 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.5 OUTLIER -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.574 HD22 ' CH2' ' A' ' 227' ' ' TRP . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.563 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.521 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.574 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.563 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 317' ' ' VAL . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.492 HG11 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' A' ' 282' ' ' VAL . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.484 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.441 ' CD2' ' CB ' ' A' ' 324' ' ' SER . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.432 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.4 ' N ' H5'1 ' A' ' 370' ' ' CMP . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.485 ' CG2' ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.485 ' CD2' ' CG2' ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.441 ' CB ' ' CD2' ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . 0.407 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 329' ' ' MET . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 239' ' ' LEU . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 235' ' ' LEU . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.583 HG23 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 299' ' ' MET . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.446 ' CD1' ' HB1' ' A' ' 351' ' ' ALA . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.49 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.454 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -68.91 -44.92 72.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 156.46 87.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.555 1.16 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . -72.6 64.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.25 71.72 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -176.06 79.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.62 155.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.593 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.79 163.9 25.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.781 . . . . 0.0 110.062 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 64.43 125.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.69 60.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 60.4 t -85.66 -53.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -47.31 13.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.97 58.71 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -107.63 -40.87 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.47 -34.82 60.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 36.1 t80 -70.24 -31.77 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 49.2 t -72.52 -41.43 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -34.73 74.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -70.89 -30.53 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -64.08 -48.37 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.036 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 251' ' ' LEU . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 244' ' ' LEU . 95.4 mm-40 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 236' ' ' PHE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . . . . . . . . . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.609 ' CG2' ' CD2' ' A' ' 273' ' ' PHE . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.518 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.5 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.609 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 317' ' ' VAL . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.492 HG13 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.602 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.602 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 298' ' ' GLU . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.431 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.432 ' N ' H5'1 ' A' ' 370' ' ' CMP . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.518 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' THR . . . . . . . . . . . . . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 279' ' ' SER . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.459 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.407 ' CB ' HD12 ' A' ' 322' ' ' LEU . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.401 ' HG2' ' C ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.425 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 349' ' ' ARG . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.572 ' HG3' ' C4 ' ' A' ' 370' ' ' CMP . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER -69.7 -39.58 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.435 ' N ' ' CD ' ' A' ' 349' ' ' ARG . . . -154.37 -122.85 0.86 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . 45.96 31.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -147.13 -60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -147.47 105.98 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 20.8 p -105.51 158.32 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.053 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.615 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 12.7 m -66.08 150.03 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.7 84.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -156.95 61.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 69.7 t -83.41 -54.46 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.73 44.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 1.1 mpt_? 48.05 58.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -69.68 -37.43 76.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.58 -39.01 64.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.529 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 61.0 t80 -65.69 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 94.9 t -70.65 -44.16 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -34.6 77.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -69.94 -31.76 69.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.573 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.43 -43.21 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 107.998 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.417 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 244' ' ' LEU . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 227' ' ' TRP . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 243' ' ' VAL . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . 0.451 ' CB ' ' CG ' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . 0.432 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 307' ' ' ARG . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.56 ' HE2' ' CZ ' ' A' ' 274' ' ' PHE . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.573 ' CE2' HG21 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 272' ' ' MET . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.434 ' CG2' ' HG ' ' A' ' 320' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.429 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.6 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.6 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' SER . . . . . 0.417 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 279' ' ' SER . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.434 ' HG ' ' CG2' ' A' ' 276' ' ' VAL . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 325' ' ' ALA . 39.7 t60 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.451 ' CG ' ' CB ' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . 0.405 ' O ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 347' ' ' GLU . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 348' ' ' ARG . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -70.18 -44.97 67.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 171.66 119.9 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 347' ' ' GLU . . . 179.6 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -116.39 106.99 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 15.6 t -62.24 -58.43 7.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.617 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 80.1 p -60.79 105.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 64.97 110.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.88 58.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 9.8 t -79.4 -42.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 219' ' ' ARG . 0.1 OUTLIER -173.8 35.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.17 63.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -79.46 -29.73 47.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.68 -36.34 51.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -67.79 -33.68 75.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 7.6 t -68.35 -40.47 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -67.19 -34.62 77.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.06 -30.82 70.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -41.13 98.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.073 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 276' ' ' VAL . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . 0.431 ' CB ' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.472 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.574 ' HE2' ' CZ ' ' A' ' 274' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.479 ' N ' HG12 ' A' ' 317' ' ' VAL . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.503 HG11 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.601 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.601 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.481 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.494 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' CB ' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 327' ' ' PHE . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.461 ' NH1' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' THR . . . . . . . . . . . . . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 279' ' ' SER . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 274' ' ' PHE . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.433 ' CB ' HD23 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.431 ' OD2' ' CB ' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.468 ' O ' ' CD ' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 299' ' ' MET . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 351' ' ' ALA . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER -68.57 -37.7 80.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 346' ' ' LEU . . . 159.78 123.55 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.484 ' CB ' HD12 ' A' ' 346' ' ' LEU . . . -168.85 -61.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.252 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -162.58 49.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.69 144.95 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.36 -62.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.618 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 92.5 p -39.68 121.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -136.72 -72.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.43 49.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.4 -19.97 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.75 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.453 ' O ' ' CG2' ' A' ' 224' ' ' VAL . 0.1 OUTLIER 46.65 65.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.89 -32.59 2.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.27 -37.66 52.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 220' ' ' ARG . 98.6 t -68.5 -42.85 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -68.06 -34.7 76.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.88 -29.96 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.473 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.28 -48.39 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.477 ' CD1' HG13 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.579 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . 0.446 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.512 ' CG2' ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.428 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.53 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . 0.46 ' CG1' ' HG ' ' A' ' 229' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . . . . . . . . . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.449 ' N ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.496 HG13 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.599 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.599 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 271' ' ' ARG . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 298' ' ' GLU . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.48 ' NE ' " O5'" ' A' ' 370' ' ' CMP . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.512 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 279' ' ' SER . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.532 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 239' ' ' LEU . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 238' ' ' LYS . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 351' ' ' ALA . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 1.5 ptm180 -70.73 -42.92 69.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -152.08 -127.64 1.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.576 1.172 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.457 ' CB ' HD11 ' A' ' 346' ' ' LEU . . . 57.03 25.79 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 0.816 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -42.28 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 351' ' ' ALA . . . -58.56 -73.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 36.0 t -85.88 -62.89 1.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.604 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 30.3 t -57.29 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 60.99 113.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.236 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -167.18 61.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.88 -41.27 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.7 50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 43.79 58.98 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -104.94 -36.0 3.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.72 -35.28 60.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' PHE . . . . . 0.576 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 38.1 t80 -68.61 -31.76 71.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 53.7 t -71.22 -42.49 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.92 -34.55 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -70.24 -30.94 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' TRP . . . . . 0.576 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.63 -39.24 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' PHE . . . . . 0.45 ' CD2' ' HB ' ' A' ' 233' ' ' VAL . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' PRO . . . . . 0.509 ' O ' ' CG2' ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 244' ' ' LEU . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.514 ' CD1' ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' A' ' 244' ' ' LEU . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 230' ' ' VAL . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.648 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . 0.481 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 307' ' ' ARG . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 307' ' ' ARG . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . 0.431 ' CA ' HD13 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' MET . . . . . 0.583 ' HE3' ' CZ ' ' A' ' 274' ' ' PHE . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' PHE . . . . . 0.648 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' PHE . . . . . 0.583 ' CZ ' ' HE3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' SER . . . . . 0.487 ' N ' HG13 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . 0.598 ' C ' ' CG2' ' A' ' 284' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' THR . . . . . 0.598 ' CG2' ' C ' ' A' ' 283' ' ' ALA . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 286' ' ' ASN . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.431 HD13 ' CA ' ' A' ' 271' ' ' ARG . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 298' ' ' GLU . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' THR . . . . . 0.425 ' OG1' ' CG2' ' A' ' 265' ' ' ILE . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 279' ' ' SER . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 274' ' ' PHE . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . 0.514 ' OD2' ' CD1' ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . 0.483 HD11 ' CB ' ' A' ' 351' ' ' ALA . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' ARG . . . . . 0.475 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 28.6 ptt180 -67.14 -42.71 83.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . 167.92 123.89 0.69 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . 0.483 ' CB ' HD11 ' A' ' 346' ' ' LEU . . . 176.01 -77.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 354' ' ' SER . . . -109.5 81.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -50.79 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 352' ' ' ALA . 29.0 t 63.88 107.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' CMP . . . . . 1.591 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.665 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 11.5 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 320' ' ' LEU . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.941 HG11 HD21 ' A' ' 244' ' ' LEU . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.646 ' CB ' HD11 ' A' ' 337' ' ' ILE . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 236' ' ' PHE . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.704 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.941 HD21 HG11 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.671 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 320' ' ' LEU . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 313' ' ' ALA . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.853 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.578 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.709 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 292' ' ' PRO . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.779 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.747 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 279' ' ' SER . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.713 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.496 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.517 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 272' ' ' MET . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 345' ' ' ALA . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.853 ' OG1' HG22 ' A' ' 265' ' ' ILE . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.864 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.779 HG12 ' HA3' ' A' ' 278' ' ' GLY . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 321' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.843 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.671 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.843 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.77 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.77 HD12 ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.825 HG22 ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.876 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.825 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.713 ' HG ' HG11 ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.553 HG21 HG22 ' A' ' 248' ' ' VAL . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.525 ' HD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 337' ' ' ILE . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.406 ' HG ' ' CD1' ' A' ' 337' ' ' ILE . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 241' ' ' PRO . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.617 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 320' ' ' LEU . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 253' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.534 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.843 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.682 ' HA ' HG23 ' A' ' 310' ' ' THR . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.421 ' HA ' HD21 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.682 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 292' ' ' PRO . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.713 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.823 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.931 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.576 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.445 ' HB2' ' HE3' ' A' ' 272' ' ' MET . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.704 ' HE1' HG23 ' A' ' 275' ' ' VAL . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.682 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.985 HD13 ' HB2' ' A' ' 345' ' ' ALA . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.931 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 262' ' ' ILE . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.843 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.823 HG12 ' HA3' ' A' ' 278' ' ' GLY . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.405 ' HA ' HD22 ' A' ' 301' ' ' LEU . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.617 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 328' ' ' GLN . . . . . 0.405 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.619 ' CD1' HG21 ' A' ' 337' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.7 ' HB2' HD12 ' A' ' 337' ' ' ILE . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 334' ' ' SER . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.862 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.496 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 320' ' ' LEU . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 248' ' ' VAL . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.535 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 239' ' ' LEU . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.565 HD11 HD13 ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 230' ' ' VAL . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 321' ' ' SER . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.751 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 313' ' ' ALA . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.816 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.677 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.698 HG23 ' HE1' ' A' ' 296' ' ' PHE . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.891 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.752 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.891 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.568 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.673 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.607 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.698 ' HE1' HG23 ' A' ' 275' ' ' VAL . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.775 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.677 HD12 ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.772 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.816 ' OG1' HG22 ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 314' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.809 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.731 HG12 ' HA3' ' A' ' 278' ' ' GLY . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 229' ' ' LEU . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 321' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.55 ' ND1' ' HB3' ' A' ' 325' ' ' ALA . 15.7 t-80 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.464 ' HA ' HD22 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.55 ' HB3' ' ND1' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.511 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 346' ' ' LEU . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.853 HG22 ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 299' ' ' MET . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.853 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.511 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 12.2 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.692 ' CG ' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 248' ' ' VAL . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 240' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 333' ' ' SER . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 255' ' ' THR . . . . . 0.429 ' HG1' ' HG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.521 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.862 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 313' ' ' ALA . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 301' ' ' LEU . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.637 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 296' ' ' PHE . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.692 HG11 ' CG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.698 HG22 ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.583 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.698 ' HB2' HG22 ' A' ' 280' ' ' VAL . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.637 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.509 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.637 HD11 ' CA ' ' A' ' 271' ' ' ARG . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.961 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 314' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.862 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.55 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 276' ' ' VAL . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.49 ' HB2' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.442 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.822 ' HA ' HD23 ' A' ' 330' ' ' LEU . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' SER . . . . . 0.447 ' CB ' HG11 ' A' ' 243' ' ' VAL . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.812 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.812 HD12 ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.744 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.917 HG22 ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.961 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.917 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.776 ' HG ' HG11 ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 248' ' ' VAL . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.512 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.734 ' CB ' HD11 ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.573 HD22 HG11 ' A' ' 243' ' ' VAL . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 240' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 239' ' ' LEU . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.558 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.613 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 320' ' ' LEU . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.489 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.406 HG13 ' HD3' ' A' ' 254' ' ' ARG . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 313' ' ' ALA . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 310' ' ' THR . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 268' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 292' ' ' PRO . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.776 HG11 ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.842 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.89 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.58 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 279' ' ' SER . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.748 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE2' HG23 ' A' ' 275' ' ' VAL . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.724 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.724 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.89 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.905 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.842 HG12 ' HA3' ' A' ' 278' ' ' GLY . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.485 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 251' ' ' LEU . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.613 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 322' ' ' LEU . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.825 ' HB3' HD12 ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 334' ' ' SER . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.735 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.427 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.798 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.607 ' CD1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 237' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 337' ' ' ILE . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 330' ' ' LEU . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 230' ' ' VAL . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.807 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 230' ' ' VAL . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.577 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.807 HD12 HG23 ' A' ' 247' ' ' ILE . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.873 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.53 HG23 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.825 HG22 ' OG1' ' A' ' 310' ' ' THR . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 268' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 301' ' ' LEU . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.731 ' C ' HD11 ' A' ' 301' ' ' LEU . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 319' ' ' LEU . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 229' ' ' LEU . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.849 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.748 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.598 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.649 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.559 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.744 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.731 HD11 ' C ' ' A' ' 271' ' ' ARG . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 345' ' ' ALA . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.744 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.825 ' OG1' HG22 ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 314' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.873 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.953 HG23 HD11 ' A' ' 319' ' ' LEU . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.853 ' C ' HD13 ' A' ' 319' ' ' LEU . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.953 HD11 HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 229' ' ' LEU . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.851 ' HA ' HD23 ' A' ' 330' ' ' LEU . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 328' ' ' GLN . 0.5 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.923 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.923 HD12 ' CB ' ' A' ' 334' ' ' SER . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.841 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.911 HG22 ' HD3' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.916 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.911 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 228' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.542 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.688 HG21 HG22 ' A' ' 248' ' ' VAL . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.5 ' CD1' HD23 ' A' ' 235' ' ' LEU . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 237' ' ' GLN . . . . . 0.405 ' OE1' HD11 ' A' ' 244' ' ' LEU . 31.0 mm100 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.693 ' HB2' HD11 ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 330' ' ' LEU . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 241' ' ' PRO . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 1.018 HD13 HD12 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 253' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 255' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 318' ' ' SER . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.861 HG21 HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 313' ' ' ALA . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 263' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.433 ' C ' HD21 ' A' ' 301' ' ' LEU . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.874 ' C ' HD11 ' A' ' 301' ' ' LEU . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.851 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 292' ' ' PRO . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.542 HG11 ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.673 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.908 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.908 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 279' ' ' SER . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.477 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.556 ' HB3' HH21 ' A' ' 307' ' ' ARG . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.874 HD11 ' C ' ' A' ' 271' ' ' ARG . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.556 HH21 ' HB3' ' A' ' 300' ' ' ALA . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.779 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.805 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.997 HG23 ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 319' ' ' LEU . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.997 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 1.018 HD12 HD13 ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.773 ' HA ' HD23 ' A' ' 330' ' ' LEU . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.891 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.891 HD12 ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.906 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.896 HG22 ' HD3' ' A' ' 348' ' ' ARG . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.896 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.446 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.739 ' HG ' HG11 ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 248' ' ' VAL . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 251' ' ' LEU . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.788 ' HB2' HD11 ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 240' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.465 HG21 ' OG ' ' A' ' 333' ' ' SER . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.973 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.64 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.861 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 313' ' ' ALA . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.598 HG22 ' OG1' ' A' ' 310' ' ' THR . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.882 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 292' ' ' PRO . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.739 HG11 ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.708 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.886 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.769 ' HB2' HG13 ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.682 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.655 ' HE1' HG23 ' A' ' 275' ' ' VAL . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.73 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.882 HD12 ' HG2' ' A' ' 272' ' ' MET . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.886 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.66 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.861 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.708 HG12 ' HA3' ' A' ' 278' ' ' GLY . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.475 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 323' ' ' HIS . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.659 ' N ' HD12 ' A' ' 322' ' ' LEU . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 243' ' ' VAL . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.781 ' HA ' HD23 ' A' ' 346' ' ' LEU . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.944 HG22 ' HD3' ' A' ' 348' ' ' ARG . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.944 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.479 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 1.062 HG21 HG22 ' A' ' 248' ' ' VAL . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 237' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 234' ' ' PRO . 4.4 pt20 -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.74 ' HB3' HD11 ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 250' ' ' ALA . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.062 HG22 HG21 ' A' ' 230' ' ' VAL . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 246' ' ' GLU . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 253' ' ' ALA . . . . . 0.813 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.611 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.537 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.904 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 313' ' ' ALA . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 309' ' ' ALA . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 301' ' ' LEU . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.42 ' CA ' HD11 ' A' ' 301' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.581 HG23 ' HE1' ' A' ' 296' ' ' PHE . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.419 ' O ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.921 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.581 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.497 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.581 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 270' ' ' ASP . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.44 HH21 ' HB3' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.892 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.921 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.904 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.581 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 253' ' ' ALA . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.5 ' O ' HD23 ' A' ' 322' ' ' LEU . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 247' ' ' ILE . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.873 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.873 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' ALA . . . . . 0.602 ' HB2' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.771 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.815 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.435 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.56 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CB ' HG13 ' A' ' 230' ' ' VAL . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 237' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 234' ' ' PRO . 3.9 pt20 -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.541 ' CB ' HD11 ' A' ' 337' ' ' ILE . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.612 HG21 ' OG ' ' A' ' 333' ' ' SER . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 230' ' ' VAL . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 241' ' ' PRO . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.61 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 244' ' ' LEU . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 247' ' ' ILE . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.706 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 313' ' ' ALA . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.607 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.637 ' CE2' HG23 ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.684 HG23 ' HE1' ' A' ' 296' ' ' PHE . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 313' ' ' ALA . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 281' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.754 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.684 ' HE1' HG23 ' A' ' 275' ' ' VAL . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 302' ' ' ILE . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.483 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 272' ' ' MET . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.908 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.896 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.817 ' OG1' HG22 ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.769 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 314' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.841 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.986 HG23 ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 319' ' ' LEU . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.986 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 229' ' ' LEU . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 321' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 251' ' ' LEU . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.624 ' HA ' HD22 ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB3' HD11 ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.763 ' HA ' HD23 ' A' ' 330' ' ' LEU . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.425 ' SD ' HG13 ' A' ' 243' ' ' VAL . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' SER . . . . . 0.612 ' OG ' HG21 ' A' ' 243' ' ' VAL . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.705 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' A' ' 334' ' ' SER . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.667 HG21 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.908 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 347' ' ' GLU . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.677 ' N ' HD12 ' A' ' 346' ' ' LEU . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.59 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 228' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 248' ' ' VAL . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 337' ' ' ILE . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 251' ' ' LEU . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 244' ' ' LEU . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.745 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 247' ' ' ILE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.596 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.603 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.806 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 313' ' ' ALA . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.782 HG22 ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.502 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.654 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.613 ' CE2' HG23 ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.675 HG23 ' HE1' ' A' ' 296' ' ' PHE . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.844 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.726 ' C ' HG22 ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.595 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.805 ' HB2' HG13 ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.607 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.675 ' HE1' HG23 ' A' ' 275' ' ' VAL . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.538 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 341' ' ' PHE . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 296' ' ' PHE . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.806 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.844 HG12 ' HA3' ' A' ' 278' ' ' GLY . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.822 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 321' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 251' ' ' LEU . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.745 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 340' ' ' ILE . . . . . 0.407 ' CG2' HD21 ' A' ' 235' ' ' LEU . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 302' ' ' ILE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.857 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.659 HG22 ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.857 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.659 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.595 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 320' ' ' LEU . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 248' ' ' VAL . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.418 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 237' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 26.7 mm100 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.773 ' HB2' HD11 ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 243' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 241' ' ' PRO . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.908 ' HA ' HD12 ' A' ' 251' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.892 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.996 HD13 ' O ' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 252' ' ' ARG . . . . . 0.786 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.891 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.847 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.865 HG23 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 263' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 262' ' ' ILE . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.764 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.442 ' C ' HD21 ' A' ' 301' ' ' LEU . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.618 ' CA ' HD11 ' A' ' 301' ' ' LEU . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.668 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.773 ' HB2' HD12 ' A' ' 320' ' ' LEU . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.638 HG23 ' HE1' ' A' ' 296' ' ' PHE . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.477 HG11 ' HG ' ' A' ' 229' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 277' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 317' ' ' VAL . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.646 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.896 HG13 ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.896 ' HB2' HG13 ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.473 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' A' ' 275' ' ' VAL . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.446 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.668 HD12 ' HG2' ' A' ' 272' ' ' MET . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.731 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.847 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.646 HG12 ' HA3' ' A' ' 278' ' ' GLY . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 256' ' ' VAL . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 274' ' ' PHE . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 330' ' ' LEU . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.55 ' ND1' ' HB3' ' A' ' 325' ' ' ALA . 13.0 t-80 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.448 ' H ' ' CD2' ' A' ' 323' ' ' HIS . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.55 ' HB3' ' ND1' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.892 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 328' ' ' GLN . . . . . 0.4 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 331' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.78 ' HB3' HD12 ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.78 HD12 ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.802 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.885 HG22 ' HD3' ' A' ' 348' ' ' ARG . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.731 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.839 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 0.826 HG21 HG22 ' A' ' 248' ' ' VAL . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 337' ' ' ILE . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.811 ' HB1' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.763 ' HG ' HD13 ' A' ' 322' ' ' LEU . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 313' ' ' ALA . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 268' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.522 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.632 ' HE1' ' HB2' ' A' ' 295' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.688 HG23 ' HE1' ' A' ' 296' ' ' PHE . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.48 HG11 ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.677 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.83 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 287' ' ' PRO . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.83 ' HB2' HG13 ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.632 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.688 ' HE1' HG23 ' A' ' 275' ' ' VAL . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.712 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.594 HD12 ' HG2' ' A' ' 272' ' ' MET . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.712 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.856 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.856 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.677 HG12 ' HA3' ' A' ' 278' ' ' GLY . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 229' ' ' LEU . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.763 HD13 ' HG ' ' A' ' 251' ' ' LEU . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.479 ' HA ' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.811 ' OD2' ' HB1' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.659 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 238' ' ' LYS . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.912 HG22 ' HD3' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.912 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.516 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 1.017 ' CG2' HG23 ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 238' ' ' LYS . . . . . 0.762 ' HB2' HD11 ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.017 HG23 ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.563 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 252' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.73 ' O ' HD22 ' A' ' 319' ' ' LEU . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.781 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 313' ' ' ALA . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 263' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.66 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.686 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 296' ' ' PHE . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.695 HG21 HD23 ' A' ' 320' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.686 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.436 ' O ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 280' ' ' VAL . . . . . 0.751 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.889 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.737 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.889 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.505 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.683 ' HE1' HG23 ' A' ' 275' ' ' VAL . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.741 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.686 HD12 ' HG2' ' A' ' 272' ' ' MET . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 309' ' ' ALA . . . . . 0.87 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.854 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.686 HG12 ' HA3' ' A' ' 278' ' ' GLY . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.454 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.979 ' CD2' HD23 ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 322' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.686 ' HA ' HD23 ' A' ' 330' ' ' LEU . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.692 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.837 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 346' ' ' LEU . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.979 HG22 ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.979 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 227' ' ' TRP . . . . . 0.663 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 229' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 230' ' ' VAL . . . . . 1.062 HG11 HD21 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 235' ' ' LEU . . . . . 0.588 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 236' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 330' ' ' LEU . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 241' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 244' ' ' LEU . . . . . 1.062 HD21 HG11 ' A' ' 230' ' ' VAL . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 245' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.635 HD12 ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.033 HG22 HG21 ' A' ' 230' ' ' VAL . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 250' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 251' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 253' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 254' ' ' ARG . . . . . 0.625 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 255' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 318' ' ' SER . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 258' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 262' ' ' ILE . . . . . 0.856 HD11 ' HB2' ' A' ' 313' ' ' ALA . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 263' ' ' CYS . . . . . 0.48 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.58 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 265' ' ' ILE . . . . . 0.569 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.423 ' HA ' HD21 ' A' ' 301' ' ' LEU . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 271' ' ' ARG . . . . . 0.7 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 272' ' ' MET . . . . . 0.743 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 273' ' ' PHE . . . . . 0.715 ' CE2' HG23 ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 274' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 275' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 292' ' ' PRO . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 276' ' ' VAL . . . . . 0.469 HG11 ' HG ' ' A' ' 229' ' ' LEU . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 278' ' ' GLY . . . . . 0.679 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 279' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 283' ' ' ALA . . . . . 0.796 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 287' ' ' PRO . . . . . 0.57 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 292' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 296' ' ' PHE . . . . . 0.71 ' HE1' HG23 ' A' ' 275' ' ' VAL . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 299' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.743 HD12 ' HG2' ' A' ' 272' ' ' MET . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 302' ' ' ILE . . . . . 0.915 HD13 ' HB2' ' A' ' 345' ' ' ALA . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 307' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 310' ' ' THR . . . . . 0.796 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.856 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' THR . . . . . 0.834 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 317' ' ' VAL . . . . . 0.679 HG12 ' HA3' ' A' ' 278' ' ' GLY . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 318' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 255' ' ' THR . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 319' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.549 ' HB2' HD22 ' A' ' 301' ' ' LEU . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 326' ' ' ASP . . . . . 0.635 ' OD2' HD12 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 327' ' ' PHE . . . . . 0.819 ' HA ' HD23 ' A' ' 330' ' ' LEU . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' SER . . . . . 0.644 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 334' ' ' SER . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 344' ' ' THR . . . . . 0.894 HG22 ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ALA . . . . . 0.915 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' ARG . . . . . 0.894 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 349' ' ' ARG . . . . . 0.436 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 28.6 ptt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 57.3 p -100.24 158.22 16.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 53.87 100.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.31 61.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.01 -40.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.62 51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.0 mmt85 42.21 58.71 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.18 -36.67 34.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -40.38 72.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.37 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.431 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 13.0 t80 -67.76 -33.09 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 220' ' ' ARG . 12.4 t -72.94 -36.79 52.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -34.44 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.36 -30.78 67.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.665 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -49.51 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 6.6 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 320' ' ' LEU . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.941 HG11 HD21 ' A' ' 244' ' ' LEU . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.646 ' CB ' HD11 ' A' ' 337' ' ' ILE . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 236' ' ' PHE . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.704 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.941 HD21 HG11 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.671 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 320' ' ' LEU . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 313' ' ' ALA . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.853 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.578 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.709 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 292' ' ' PRO . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.779 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.747 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 279' ' ' SER . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.713 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.496 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.517 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 272' ' ' MET . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 345' ' ' ALA . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.719 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.853 ' OG1' HG22 ' A' ' 265' ' ' ILE . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.864 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.779 HG12 ' HA3' ' A' ' 278' ' ' GLY . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 321' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.843 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.671 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.843 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.77 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.77 HD12 ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.825 HG22 ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.876 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 1.081 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.825 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 -67.12 -40.83 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -170.9 -114.02 0.31 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 1.081 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 79.57 8.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -142.09 -49.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -62.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 35.2 t -41.65 -54.1 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.623 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.08 134.75 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.797 . . . . 0.0 109.963 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.51 172.03 10.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.89 62.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.14 -56.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -158.86 43.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -86.51 66.34 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -76.4 -38.73 32.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.98 70.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 0.726 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.518 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 32.6 t80 -66.89 -30.79 71.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 220' ' ' ARG . 60.0 t -70.06 -44.84 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.56 -34.82 78.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 230' ' ' VAL . 3.9 m-20 -68.69 -30.25 68.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.518 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.11 -39.93 96.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.713 ' HG ' HG11 ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 226' ' ' ASN . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.525 ' HD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 337' ' ' ILE . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.406 ' HG ' ' CD1' ' A' ' 337' ' ' ILE . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 241' ' ' PRO . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.617 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 320' ' ' LEU . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.534 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.843 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.682 ' HA ' HG23 ' A' ' 310' ' ' THR . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.421 ' HA ' HD21 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.682 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 292' ' ' PRO . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.713 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.823 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.931 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.576 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.445 ' HB2' ' HE3' ' A' ' 272' ' ' MET . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.704 ' HE1' HG23 ' A' ' 275' ' ' VAL . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.682 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.985 HD13 ' HB2' ' A' ' 345' ' ' ALA . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.639 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.931 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 262' ' ' ILE . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.843 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.823 HG12 ' HA3' ' A' ' 278' ' ' GLY . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.405 ' HA ' HD22 ' A' ' 301' ' ' LEU . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.617 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' GLN . . . . . 0.405 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.619 ' CD1' HG21 ' A' ' 337' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.7 ' HB2' HD12 ' A' ' 337' ' ' ILE . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 334' ' ' SER . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.862 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.955 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.753 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 -67.69 -43.49 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -157.58 -123.03 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.955 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 59.41 19.14 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.78 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -45.47 113.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.1 m -43.91 149.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.603 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.48 141.45 4.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 0.72 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -77.79 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -130.14 63.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.45 -52.41 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -162.54 51.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 mmt85 46.6 58.92 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -37.06 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.45 -35.71 60.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 40.1 t80 -69.37 -32.74 71.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 220' ' ' ARG . 55.9 t -71.62 -40.18 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 229' ' ' LEU . 16.7 ttm180 -69.36 -34.71 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 253' ' ' ALA . 10.4 m-20 -71.1 -30.83 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.496 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -64.07 -48.5 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 320' ' ' LEU . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 248' ' ' VAL . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.535 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 239' ' ' LEU . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.565 HD11 HD13 ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 230' ' ' VAL . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 321' ' ' SER . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 253' ' ' ALA . . . . . 0.477 ' HB2' ' OD1' ' A' ' 226' ' ' ASN . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.751 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 313' ' ' ALA . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.816 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.677 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.698 HG23 ' HE1' ' A' ' 296' ' ' PHE . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.891 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.752 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.891 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.568 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.673 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.607 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.698 ' HE1' HG23 ' A' ' 275' ' ' VAL . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.775 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.677 HD12 ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.769 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.772 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.816 ' OG1' HG22 ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.809 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.731 HG12 ' HA3' ' A' ' 278' ' ' GLY . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 229' ' ' LEU . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 321' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.55 ' ND1' ' HB3' ' A' ' 325' ' ' ALA . 15.7 t-80 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.464 ' HA ' HD22 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.55 ' HB3' ' ND1' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.511 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 346' ' ' LEU . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.853 HG22 ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 299' ' ' MET . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.862 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.853 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 -69.56 -45.37 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -152.73 -122.56 0.94 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.917 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 57.43 18.82 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 353' ' ' ALA . . . -46.16 152.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 352' ' ' ALA . . . 75.79 -73.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.61 103.84 15.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.603 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 3.1 m -169.23 168.25 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 76.27 -57.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -73.83 72.37 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 218' ' ' VAL . 39.0 t -114.79 26.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 218' ' ' VAL . 29.2 ttt180 86.0 36.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 49.78 60.99 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.73 -36.05 2.11 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.34 -33.36 55.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.429 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 19.9 t80 -69.66 -31.23 69.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.39 -44.06 72.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 228' ' ' GLN . 0.0 OUTLIER -67.56 -34.62 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -70.04 -30.08 67.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.511 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.26 -47.07 83.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 5.9 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.692 ' CG ' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 248' ' ' VAL . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 240' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 333' ' ' SER . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 255' ' ' THR . . . . . 0.429 ' HG1' ' HG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.521 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.862 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 313' ' ' ALA . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 301' ' ' LEU . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.637 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 296' ' ' PHE . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.692 HG11 ' CG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.698 HG22 ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.583 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.698 ' HB2' HG22 ' A' ' 280' ' ' VAL . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.637 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.509 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.637 HD11 ' CA ' ' A' ' 271' ' ' ARG . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.961 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.711 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.862 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.55 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 276' ' ' VAL . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.49 ' HB2' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.442 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.822 ' HA ' HD23 ' A' ' 330' ' ' LEU . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' SER . . . . . 0.447 ' CB ' HG11 ' A' ' 243' ' ' VAL . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.812 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.812 HD12 ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.744 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.917 HG22 ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.961 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.917 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 34.3 ptt180 -70.42 -42.27 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -165.3 -122.42 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 1.064 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 83.69 -69.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.14 134.25 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . 63.98 -158.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.76 -85.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.622 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 95.2 p -139.13 132.94 30.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.87 115.58 30.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.38 69.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 95.2 t -87.62 -58.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -157.12 44.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 46.42 59.55 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -35.51 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.44 -37.41 60.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 46.7 t80 -67.3 -30.86 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 220' ' ' ARG . 76.9 t -69.54 -44.11 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.66 -34.33 77.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -68.82 -29.82 68.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -62.06 -39.91 94.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.776 ' HG ' HG11 ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 248' ' ' VAL . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.512 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.734 ' CB ' HD11 ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.573 HD22 HG11 ' A' ' 243' ' ' VAL . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 240' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 239' ' ' LEU . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.558 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.613 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 320' ' ' LEU . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.489 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.406 HG13 ' HD3' ' A' ' 254' ' ' ARG . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 313' ' ' ALA . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 310' ' ' THR . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 292' ' ' PRO . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.776 HG11 ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.842 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.89 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.58 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 279' ' ' SER . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.748 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE2' HG23 ' A' ' 275' ' ' VAL . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.724 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.724 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.711 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.89 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.905 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.842 HG12 ' HA3' ' A' ' 278' ' ' GLY . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.485 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 251' ' ' LEU . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.613 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 322' ' ' LEU . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.825 ' HB3' HD12 ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 334' ' ' SER . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.735 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.738 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -68.77 -45.19 72.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -148.13 -119.99 1.1 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 51.62 33.97 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 351' ' ' ALA . . . 66.49 144.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -47.49 153.29 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.5 m 65.25 162.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.0 t -159.09 153.28 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.96 70.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 38.56 68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.35 -58.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -149.67 33.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.1 mmt-85 -114.83 61.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -81.66 -36.0 20.83 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.458 1.098 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.05 -38.42 66.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.439 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 10.2 t80 -66.69 -31.4 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 220' ' ' ARG . 10.4 t -69.33 -42.59 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.23 -31.31 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.798 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.13 -41.31 97.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 107.994 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.607 ' CD1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 237' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 337' ' ' ILE . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 330' ' ' LEU . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 230' ' ' VAL . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.807 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 230' ' ' VAL . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.577 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.807 HD12 HG23 ' A' ' 247' ' ' ILE . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.873 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.53 HG23 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.825 HG22 ' OG1' ' A' ' 310' ' ' THR . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 268' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 301' ' ' LEU . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.731 ' C ' HD11 ' A' ' 301' ' ' LEU . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 319' ' ' LEU . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 229' ' ' LEU . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.849 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.748 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.598 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.649 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.559 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.744 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.731 HD11 ' C ' ' A' ' 271' ' ' ARG . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 345' ' ' ALA . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.744 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.701 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.825 ' OG1' HG22 ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.873 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.953 HG23 HD11 ' A' ' 319' ' ' LEU . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.853 ' C ' HD13 ' A' ' 319' ' ' LEU . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.953 HD11 HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 229' ' ' LEU . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.851 ' HA ' HD23 ' A' ' 330' ' ' LEU . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 328' ' ' GLN . 0.5 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.923 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.923 HD12 ' CB ' ' A' ' 334' ' ' SER . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.841 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.911 HG22 ' HD3' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.916 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 1.049 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.911 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 45.1 ptt85 -69.4 -43.53 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -162.0 -124.01 0.69 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 1.049 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 81.94 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -50.92 163.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -40.31 -61.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.87 145.34 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 61.2 m 46.52 82.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -163.57 76.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.49 67.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.18 -40.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -54.37 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -87.42 59.14 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -110.3 -36.5 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -34.15 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.53 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 29.3 t80 -70.19 -31.47 68.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.28 -41.18 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.7 OUTLIER -69.08 -34.46 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 230' ' ' VAL . 2.0 m-80 -70.91 -30.12 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -63.87 -48.84 75.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 228' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.542 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 226' ' ' ASN . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.5 ' CD1' HD23 ' A' ' 235' ' ' LEU . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 237' ' ' GLN . . . . . 0.405 ' OE1' HD11 ' A' ' 244' ' ' LEU . 31.0 mm100 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.693 ' HB2' HD11 ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 330' ' ' LEU . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 241' ' ' PRO . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 1.018 HD13 HD12 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 253' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 318' ' ' SER . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.861 HG21 HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 313' ' ' ALA . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 263' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.433 ' C ' HD21 ' A' ' 301' ' ' LEU . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.874 ' C ' HD11 ' A' ' 301' ' ' LEU . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.851 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 292' ' ' PRO . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.542 HG11 ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.673 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.908 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.908 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 279' ' ' SER . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.477 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.556 ' HB3' HH21 ' A' ' 307' ' ' ARG . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.874 HD11 ' C ' ' A' ' 271' ' ' ARG . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.556 HH21 ' HB3' ' A' ' 300' ' ' ALA . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.693 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.779 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.805 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.997 HG23 ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 319' ' ' LEU . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.997 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 1.018 HD12 HD13 ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.773 ' HA ' HD23 ' A' ' 330' ' ' LEU . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.891 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.891 HD12 ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.906 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.896 HG22 ' HD3' ' A' ' 348' ' ' ARG . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.933 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.896 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -69.98 -46.03 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 160.21 74.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -47.93 -41.16 24.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -49.1 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 59.01 161.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.214 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.06 103.59 9.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.602 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.74 144.37 34.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -151.44 111.49 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.77 84.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 218' ' ' VAL . 78.7 t -129.61 37.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 218' ' ' VAL . 0.0 OUTLIER 78.1 28.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 54.86 65.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.3 -45.0 1.03 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 226' ' ' ASN . 12.4 m-20 -74.15 -33.34 63.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 28.1 t80 -71.38 -30.63 66.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 220' ' ' ARG . 49.7 t -70.6 -41.62 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.49 -34.74 77.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 230' ' ' VAL . 3.2 m-20 -69.39 -30.77 68.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.521 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.61 -43.89 95.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.739 ' HG ' HG11 ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 226' ' ' ASN . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 251' ' ' LEU . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.788 ' HB2' HD11 ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 240' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.465 HG21 ' OG ' ' A' ' 333' ' ' SER . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.973 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.64 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.861 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 313' ' ' ALA . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.598 HG22 ' OG1' ' A' ' 310' ' ' THR . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.882 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 292' ' ' PRO . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.739 HG11 ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.708 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.886 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.769 ' HB2' HG13 ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.682 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.655 ' HE1' HG23 ' A' ' 275' ' ' VAL . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.73 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.882 HD12 ' HG2' ' A' ' 272' ' ' MET . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.678 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.886 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.66 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.861 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.708 HG12 ' HA3' ' A' ' 278' ' ' GLY . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.475 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 323' ' ' HIS . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.659 ' N ' HD12 ' A' ' 322' ' ' LEU . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 243' ' ' VAL . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.781 ' HA ' HD23 ' A' ' 346' ' ' LEU . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.944 HG22 ' HD3' ' A' ' 348' ' ' ARG . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.997 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.782 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.944 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.496 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 19.5 ptt180 -68.39 -42.99 78.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -158.36 -126.19 0.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.997 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 66.73 20.81 10.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 351' ' ' ALA . . . 80.36 73.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -165.74 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 144.92 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 168.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.972 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -55.06 155.85 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.62 65.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 79.6 t -94.01 -47.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -47.68 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 224' ' ' VAL . 4.9 mmt-85 -78.09 58.8 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -106.96 -38.39 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -35.92 64.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -68.62 -30.97 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 220' ' ' ARG . 75.9 t -70.08 -43.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -67.12 -34.23 77.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.07 -30.84 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.479 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.24 -39.75 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 1.062 HG21 HG22 ' A' ' 248' ' ' VAL . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 237' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 234' ' ' PRO . 4.4 pt20 -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.74 ' HB3' HD11 ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 250' ' ' ALA . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.062 HG22 HG21 ' A' ' 230' ' ' VAL . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 246' ' ' GLU . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' ALA . . . . . 0.813 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.611 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.537 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.904 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 313' ' ' ALA . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 309' ' ' ALA . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 301' ' ' LEU . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.42 ' CA ' HD11 ' A' ' 301' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.581 HG23 ' HE1' ' A' ' 296' ' ' PHE . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.419 ' O ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.921 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.581 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.497 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.581 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 270' ' ' ASP . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.516 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.732 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.892 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.921 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.904 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.581 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 253' ' ' ALA . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.5 ' O ' HD23 ' A' ' 322' ' ' LEU . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 247' ' ' ILE . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.873 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.873 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' ALA . . . . . 0.602 ' HB2' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.771 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.815 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.993 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.435 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 -70.12 -45.57 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 162.04 78.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.993 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -63.53 -32.07 73.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -105.39 126.04 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 63.71 98.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 30.3 t -176.0 88.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.596 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.7 m -125.98 160.93 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -171.09 124.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.65 60.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.7 p -75.1 -36.23 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.39 56.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 43.22 60.36 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.31 -31.27 52.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.4 -41.56 47.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.49 -35.47 80.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 220' ' ' ARG . 30.4 t -70.88 -39.35 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -69.21 -31.99 70.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -43.51 94.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 107.983 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.56 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CB ' HG13 ' A' ' 230' ' ' VAL . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 237' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 234' ' ' PRO . 3.9 pt20 -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.541 ' CB ' HD11 ' A' ' 337' ' ' ILE . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.612 HG21 ' OG ' ' A' ' 333' ' ' SER . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 230' ' ' VAL . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 241' ' ' PRO . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.61 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 244' ' ' LEU . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 247' ' ' ILE . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.706 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 313' ' ' ALA . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.607 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.637 ' CE2' HG23 ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.684 HG23 ' HE1' ' A' ' 296' ' ' PHE . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 313' ' ' ALA . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.754 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.684 ' HE1' HG23 ' A' ' 275' ' ' VAL . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 302' ' ' ILE . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.483 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 272' ' ' MET . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.908 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.432 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.734 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.896 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.817 ' OG1' HG22 ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.769 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.841 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.986 HG23 ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 319' ' ' LEU . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.986 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 229' ' ' LEU . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 251' ' ' LEU . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.624 ' HA ' HD22 ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB3' HD11 ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.763 ' HA ' HD23 ' A' ' 330' ' ' LEU . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.425 ' SD ' HG13 ' A' ' 243' ' ' VAL . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' SER . . . . . 0.612 ' OG ' HG21 ' A' ' 243' ' ' VAL . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.705 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' A' ' 334' ' ' SER . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.667 HG21 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.908 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 347' ' ' GLU . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.874 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.59 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -68.91 -44.92 72.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 156.46 87.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.555 1.16 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -72.6 64.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.25 71.72 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -176.06 79.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.62 155.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.598 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.79 163.9 25.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.781 . . . . 0.0 110.062 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 64.43 125.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.69 60.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 60.4 t -85.66 -53.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -47.31 13.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 53.97 58.71 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -107.63 -40.87 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.47 -34.82 60.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 36.1 t80 -70.24 -31.77 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 220' ' ' ARG . 49.2 t -72.52 -41.43 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -34.73 74.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 230' ' ' VAL . 2.2 m-80 -70.89 -30.53 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.08 -48.37 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.036 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 228' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 248' ' ' VAL . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 337' ' ' ILE . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 251' ' ' LEU . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 244' ' ' LEU . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.745 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 247' ' ' ILE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.596 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.603 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.806 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 313' ' ' ALA . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.782 HG22 ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.502 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.654 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.613 ' CE2' HG23 ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.675 HG23 ' HE1' ' A' ' 296' ' ' PHE . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.844 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.726 ' C ' HG22 ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.595 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.805 ' HB2' HG13 ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.607 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.675 ' HE1' HG23 ' A' ' 275' ' ' VAL . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.538 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 341' ' ' PHE . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.431 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.433 ' N ' H5'1 ' A' ' 370' ' ' CMP . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 296' ' ' PHE . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.806 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.844 HG12 ' HA3' ' A' ' 278' ' ' GLY . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.822 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 251' ' ' LEU . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.745 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 340' ' ' ILE . . . . . 0.407 ' CG2' HD21 ' A' ' 235' ' ' LEU . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 302' ' ' ILE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.857 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.659 HG22 ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.908 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.949 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.659 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER -69.7 -39.58 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.435 ' N ' ' CD ' ' A' ' 349' ' ' ARG . . . -154.37 -122.85 0.86 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.949 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 45.96 31.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -147.13 -60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -147.47 105.98 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 20.8 p -105.51 158.32 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.053 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.623 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 12.7 m -66.08 150.03 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.7 84.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -156.95 61.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 69.7 t -83.41 -54.46 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.73 44.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 mpt_? 48.05 58.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -69.68 -37.43 76.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.58 -39.01 64.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.529 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 61.0 t80 -65.69 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' ARG . 94.9 t -70.65 -44.16 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -34.6 77.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 230' ' ' VAL . 16.2 m-20 -69.94 -31.76 69.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.595 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.43 -43.21 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 107.998 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 320' ' ' LEU . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 226' ' ' ASN . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.418 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 237' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 26.7 mm100 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.773 ' HB2' HD11 ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 243' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 241' ' ' PRO . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.908 ' HA ' HD12 ' A' ' 251' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.892 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.996 HD13 ' O ' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 252' ' ' ARG . . . . . 0.786 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.891 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.847 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.865 HG23 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 263' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 262' ' ' ILE . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.764 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.442 ' C ' HD21 ' A' ' 301' ' ' LEU . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.618 ' CA ' HD11 ' A' ' 301' ' ' LEU . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.668 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.773 ' HB2' HD12 ' A' ' 320' ' ' LEU . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.638 HG23 ' HE1' ' A' ' 296' ' ' PHE . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.477 HG11 ' HG ' ' A' ' 229' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 277' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 317' ' ' VAL . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.646 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.896 HG13 ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.896 ' HB2' HG13 ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.473 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' A' ' 275' ' ' VAL . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.446 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.668 HD12 ' HG2' ' A' ' 272' ' ' MET . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.731 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.756 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.847 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.646 HG12 ' HA3' ' A' ' 278' ' ' GLY . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 256' ' ' VAL . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 274' ' ' PHE . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 330' ' ' LEU . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.55 ' ND1' ' HB3' ' A' ' 325' ' ' ALA . 13.0 t-80 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.448 ' H ' ' CD2' ' A' ' 323' ' ' HIS . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.55 ' HB3' ' ND1' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.892 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 328' ' ' GLN . . . . . 0.4 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 331' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.78 ' HB3' HD12 ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.78 HD12 ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.802 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.885 HG22 ' HD3' ' A' ' 348' ' ' ARG . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.731 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.834 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -70.18 -44.97 67.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 351' ' ' ALA . . . 171.66 119.9 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.834 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 179.6 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -116.39 106.99 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 15.6 t -62.24 -58.43 7.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 80.1 p -60.79 105.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 64.97 110.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.88 58.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 9.8 t -79.4 -42.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 219' ' ' ARG . 0.1 OUTLIER -173.8 35.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.17 63.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -79.46 -29.73 47.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.68 -36.34 51.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -67.79 -33.68 75.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 7.6 t -68.35 -40.47 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.6 ' O ' HD13 ' A' ' 229' ' ' LEU . 9.5 ttp180 -67.19 -34.62 77.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 230' ' ' VAL . 1.6 t30 -68.06 -30.82 70.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -41.13 98.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.073 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.839 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.826 HG21 HG22 ' A' ' 248' ' ' VAL . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 337' ' ' ILE . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.811 ' HB1' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.763 ' HG ' HD13 ' A' ' 322' ' ' LEU . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 313' ' ' ALA . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 268' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.522 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.632 ' HE1' ' HB2' ' A' ' 295' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.688 HG23 ' HE1' ' A' ' 296' ' ' PHE . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.48 HG11 ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.677 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.83 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 287' ' ' PRO . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.83 ' HB2' HG13 ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.632 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.688 ' HE1' HG23 ' A' ' 275' ' ' VAL . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.712 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.594 HD12 ' HG2' ' A' ' 272' ' ' MET . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.712 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.651 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.856 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.856 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.677 HG12 ' HA3' ' A' ' 278' ' ' GLY . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 229' ' ' LEU . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.763 HD13 ' HG ' ' A' ' 251' ' ' LEU . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.479 ' HA ' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.811 ' OD2' ' HB1' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.659 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 238' ' ' LYS . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.912 HG22 ' HD3' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.974 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.912 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER -68.57 -37.7 80.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 346' ' ' LEU . . . 159.78 123.55 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.974 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . -168.85 -61.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.252 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -162.58 49.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.69 144.95 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.36 -62.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 92.5 p -39.68 121.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -136.72 -72.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.43 49.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.4 -19.97 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.75 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER 46.65 65.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.89 -32.59 2.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.27 -37.66 52.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 220' ' ' ARG . 98.6 t -68.5 -42.85 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -68.06 -34.7 76.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' ASN . . . . . 0.609 ' HB3' HG22 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -68.88 -29.96 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.516 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.28 -48.39 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 1.017 ' CG2' HG23 ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.762 ' HB2' HD11 ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.017 HG23 ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.563 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 252' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.73 ' O ' HD22 ' A' ' 319' ' ' LEU . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.781 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 313' ' ' ALA . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 263' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.66 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.686 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 296' ' ' PHE . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.695 HG21 HD23 ' A' ' 320' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.686 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.436 ' O ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 280' ' ' VAL . . . . . 0.751 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.889 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.737 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.889 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.505 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.683 ' HE1' HG23 ' A' ' 275' ' ' VAL . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.741 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.686 HD12 ' HG2' ' A' ' 272' ' ' MET . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.48 ' NE ' " O5'" ' A' ' 370' ' ' CMP . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.667 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 309' ' ' ALA . . . . . 0.87 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.854 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.686 HG12 ' HA3' ' A' ' 278' ' ' GLY . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.454 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.979 ' CD2' HD23 ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.686 ' HA ' HD23 ' A' ' 330' ' ' LEU . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.692 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.837 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 346' ' ' LEU . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.979 HG22 ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.909 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.927 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.979 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 1.5 ptm180 -70.73 -42.92 69.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -152.08 -127.64 1.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.576 1.172 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.927 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 57.03 25.79 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 0.816 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.411 ' HB1' ' C ' ' A' ' 355' ' ' ALA . . . -42.28 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 351' ' ' ALA . . . -58.56 -73.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 36.0 t -85.88 -62.89 1.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.411 ' C ' ' HB1' ' A' ' 352' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 30.3 t -57.29 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 60.99 113.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.236 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -167.18 61.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.88 -41.27 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.7 50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER 43.79 58.98 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -104.94 -36.0 3.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.72 -35.28 60.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 223' ' ' PHE . . . . . 0.576 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 38.1 t80 -68.61 -31.76 71.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 220' ' ' ARG . 53.7 t -71.22 -42.49 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.667 ' O ' HD13 ' A' ' 229' ' ' LEU . 1.6 ttt180 -67.92 -34.55 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -70.24 -30.94 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' TRP . . . . . 0.663 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -63.63 -39.24 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 225' ' ' ARG . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 1.062 HG11 HD21 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 235' ' ' LEU . . . . . 0.588 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 236' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 330' ' ' LEU . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 244' ' ' LEU . . . . . 1.062 HD21 HG11 ' A' ' 230' ' ' VAL . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 245' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.635 HD12 ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.033 HG22 HG21 ' A' ' 230' ' ' VAL . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 250' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 251' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 253' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 254' ' ' ARG . . . . . 0.625 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 255' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 318' ' ' SER . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 258' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.856 HD11 ' HB2' ' A' ' 313' ' ' ALA . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 263' ' ' CYS . . . . . 0.48 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.58 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 265' ' ' ILE . . . . . 0.569 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.423 ' HA ' HD21 ' A' ' 301' ' ' LEU . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 271' ' ' ARG . . . . . 0.7 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 272' ' ' MET . . . . . 0.743 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 273' ' ' PHE . . . . . 0.715 ' CE2' HG23 ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 274' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 275' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 292' ' ' PRO . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 276' ' ' VAL . . . . . 0.469 HG11 ' HG ' ' A' ' 229' ' ' LEU . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' GLY . . . . . 0.679 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 279' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 283' ' ' ALA . . . . . 0.796 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 287' ' ' PRO . . . . . 0.57 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 296' ' ' PHE . . . . . 0.71 ' HE1' HG23 ' A' ' 275' ' ' VAL . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 299' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.743 HD12 ' HG2' ' A' ' 272' ' ' MET . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 302' ' ' ILE . . . . . 0.915 HD13 ' HB2' ' A' ' 345' ' ' ALA . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 308' ' ' SER . . . . . 0.625 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' THR . . . . . 0.796 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.856 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' THR . . . . . 0.834 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' VAL . . . . . 0.679 HG12 ' HA3' ' A' ' 278' ' ' GLY . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 255' ' ' THR . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 319' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.549 ' HB2' HD22 ' A' ' 301' ' ' LEU . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' ASP . . . . . 0.635 ' OD2' HD12 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 327' ' ' PHE . . . . . 0.819 ' HA ' HD23 ' A' ' 330' ' ' LEU . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' SER . . . . . 0.644 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 334' ' ' SER . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.894 HG22 ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ALA . . . . . 0.915 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' LEU . . . . . 0.698 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.806 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' ARG . . . . . 0.894 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 28.6 ptt180 -67.14 -42.71 83.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 350' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . 167.92 123.89 0.69 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ALA . . . . . 0.806 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 176.01 -77.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 354' ' ' SER . . . -109.5 81.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -50.79 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 352' ' ' ALA . 29.0 t 63.88 107.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 370' ' ' CMP . . . . . 1.596 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.665 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 11.5 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 320' ' ' LEU . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.941 HG11 HD21 ' A' ' 244' ' ' LEU . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.646 ' CB ' HD11 ' A' ' 337' ' ' ILE . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 236' ' ' PHE . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.704 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.941 HD21 HG11 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.671 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 320' ' ' LEU . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 313' ' ' ALA . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.853 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.578 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.709 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 292' ' ' PRO . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.779 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.747 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 279' ' ' SER . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.713 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.496 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.517 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 272' ' ' MET . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 345' ' ' ALA . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.853 ' OG1' HG22 ' A' ' 265' ' ' ILE . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.864 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.779 HG12 ' HA3' ' A' ' 278' ' ' GLY . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.843 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.671 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.843 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.77 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.77 HD12 ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.825 HG22 ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.876 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.708 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.825 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.713 ' HG ' HG11 ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.553 HG21 HG22 ' A' ' 248' ' ' VAL . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.525 ' HD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 337' ' ' ILE . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.406 ' HG ' ' CD1' ' A' ' 337' ' ' ILE . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 241' ' ' PRO . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.617 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 320' ' ' LEU . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.534 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.843 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.682 ' HA ' HG23 ' A' ' 310' ' ' THR . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.421 ' HA ' HD21 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.682 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 292' ' ' PRO . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.713 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.823 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.931 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.576 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.445 ' HB2' ' HE3' ' A' ' 272' ' ' MET . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.704 ' HE1' HG23 ' A' ' 275' ' ' VAL . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.682 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.985 HD13 ' HB2' ' A' ' 345' ' ' ALA . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.931 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 262' ' ' ILE . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.843 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.823 HG12 ' HA3' ' A' ' 278' ' ' GLY . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.405 ' HA ' HD22 ' A' ' 301' ' ' LEU . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.617 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . 0.405 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.619 ' CD1' HG21 ' A' ' 337' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.7 ' HB2' HD12 ' A' ' 337' ' ' ILE . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 334' ' ' SER . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.862 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.862 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.496 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 320' ' ' LEU . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 248' ' ' VAL . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.535 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 239' ' ' LEU . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.565 HD11 HD13 ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 230' ' ' VAL . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 321' ' ' SER . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.751 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 313' ' ' ALA . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.816 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.677 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.698 HG23 ' HE1' ' A' ' 296' ' ' PHE . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.891 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.752 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.891 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.568 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.673 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.607 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.698 ' HE1' HG23 ' A' ' 275' ' ' VAL . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.775 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.677 HD12 ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.772 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.816 ' OG1' HG22 ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.809 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.731 HG12 ' HA3' ' A' ' 278' ' ' GLY . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 229' ' ' LEU . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.748 ' CD2' ' HB3' ' A' ' 325' ' ' ALA . 56.0 t60 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.464 ' HA ' HD22 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.748 ' HB3' ' CD2' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.511 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 346' ' ' LEU . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.853 HG22 ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 299' ' ' MET . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.853 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.511 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 12.2 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.692 ' CG ' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 248' ' ' VAL . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 333' ' ' SER . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . 0.429 ' HG1' ' HG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.521 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.862 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 313' ' ' ALA . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 301' ' ' LEU . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.637 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 296' ' ' PHE . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.692 HG11 ' CG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.698 HG22 ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.583 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.698 ' HB2' HG22 ' A' ' 280' ' ' VAL . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.637 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.509 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.637 HD11 ' CA ' ' A' ' 271' ' ' ARG . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.961 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.862 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.55 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 276' ' ' VAL . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.49 ' HB2' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.442 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.822 ' HA ' HD23 ' A' ' 330' ' ' LEU . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . 0.447 ' CB ' HG11 ' A' ' 243' ' ' VAL . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.812 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.812 HD12 ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.744 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.917 HG22 ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.961 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.917 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.776 ' HG ' HG11 ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 248' ' ' VAL . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.512 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.734 ' CB ' HD11 ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.573 HD22 HG11 ' A' ' 243' ' ' VAL . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 239' ' ' LEU . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.558 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.613 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 320' ' ' LEU . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.489 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.406 HG13 ' HD3' ' A' ' 254' ' ' ARG . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 313' ' ' ALA . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 310' ' ' THR . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 292' ' ' PRO . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.776 HG11 ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.842 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.89 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.58 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 279' ' ' SER . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.748 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE2' HG23 ' A' ' 275' ' ' VAL . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.724 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.724 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.89 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.905 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.842 HG12 ' HA3' ' A' ' 278' ' ' GLY . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.485 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 251' ' ' LEU . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.613 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 322' ' ' LEU . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.825 ' HB3' HD12 ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 334' ' ' SER . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.735 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.427 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.798 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.607 ' CD1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 337' ' ' ILE . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 330' ' ' LEU . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 230' ' ' VAL . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.807 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 230' ' ' VAL . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.577 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.807 HD12 HG23 ' A' ' 247' ' ' ILE . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.873 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.53 HG23 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.825 HG22 ' OG1' ' A' ' 310' ' ' THR . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 301' ' ' LEU . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.731 ' C ' HD11 ' A' ' 301' ' ' LEU . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 319' ' ' LEU . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 229' ' ' LEU . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.849 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.748 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.598 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.649 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.559 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.744 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.731 HD11 ' C ' ' A' ' 271' ' ' ARG . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 345' ' ' ALA . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.744 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.825 ' OG1' HG22 ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.873 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.953 HG23 HD11 ' A' ' 319' ' ' LEU . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.853 ' C ' HD13 ' A' ' 319' ' ' LEU . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.953 HD11 HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 229' ' ' LEU . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.851 ' HA ' HD23 ' A' ' 330' ' ' LEU . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.923 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.923 HD12 ' CB ' ' A' ' 334' ' ' SER . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.841 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.911 HG22 ' HD3' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.916 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.911 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.542 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.688 HG21 HG22 ' A' ' 248' ' ' VAL . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.5 ' CD1' HD23 ' A' ' 235' ' ' LEU . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 244' ' ' LEU . 97.0 mm-40 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.693 ' HB2' HD11 ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 330' ' ' LEU . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 241' ' ' PRO . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 1.018 HD13 HD12 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 318' ' ' SER . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.861 HG21 HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 313' ' ' ALA . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.433 ' C ' HD21 ' A' ' 301' ' ' LEU . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.874 ' C ' HD11 ' A' ' 301' ' ' LEU . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.851 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 292' ' ' PRO . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.542 HG11 ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.673 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.908 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.908 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 279' ' ' SER . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.477 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.556 ' HB3' HH21 ' A' ' 307' ' ' ARG . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.874 HD11 ' C ' ' A' ' 271' ' ' ARG . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.556 HH21 ' HB3' ' A' ' 300' ' ' ALA . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.779 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.805 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.997 HG23 ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 319' ' ' LEU . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.997 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 1.018 HD12 HD13 ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.773 ' HA ' HD23 ' A' ' 330' ' ' LEU . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.891 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.891 HD12 ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.906 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.896 HG22 ' HD3' ' A' ' 348' ' ' ARG . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.896 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.446 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.739 ' HG ' HG11 ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 248' ' ' VAL . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 251' ' ' LEU . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.788 ' HB2' HD11 ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.465 HG21 ' OG ' ' A' ' 333' ' ' SER . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.973 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.64 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.861 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 313' ' ' ALA . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.598 HG22 ' OG1' ' A' ' 310' ' ' THR . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.882 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 292' ' ' PRO . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.739 HG11 ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.708 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.886 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.769 ' HB2' HG13 ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.682 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.655 ' HE1' HG23 ' A' ' 275' ' ' VAL . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.73 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.882 HD12 ' HG2' ' A' ' 272' ' ' MET . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.886 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.66 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.861 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.708 HG12 ' HA3' ' A' ' 278' ' ' GLY . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.475 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 323' ' ' HIS . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.659 ' N ' HD12 ' A' ' 322' ' ' LEU . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 243' ' ' VAL . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.781 ' HA ' HD23 ' A' ' 346' ' ' LEU . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.944 HG22 ' HD3' ' A' ' 348' ' ' ARG . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.944 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.479 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 1.062 HG21 HG22 ' A' ' 248' ' ' VAL . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.467 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.6 OUTLIER -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.74 ' HB3' HD11 ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 250' ' ' ALA . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.062 HG22 HG21 ' A' ' 230' ' ' VAL . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 246' ' ' GLU . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . 0.813 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.611 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.537 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.904 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 313' ' ' ALA . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 309' ' ' ALA . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 301' ' ' LEU . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.42 ' CA ' HD11 ' A' ' 301' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.581 HG23 ' HE1' ' A' ' 296' ' ' PHE . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.419 ' O ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.921 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.581 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.497 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.581 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 270' ' ' ASP . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.44 HH21 ' HB3' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.892 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.921 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.904 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.581 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 253' ' ' ALA . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.5 ' O ' HD23 ' A' ' 322' ' ' LEU . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 247' ' ' ILE . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.873 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.873 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . 0.602 ' HB2' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.771 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.815 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.435 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.56 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.493 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CB ' HG13 ' A' ' 230' ' ' VAL . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.5 OUTLIER -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.541 ' CB ' HD11 ' A' ' 337' ' ' ILE . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.612 HG21 ' OG ' ' A' ' 333' ' ' SER . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 230' ' ' VAL . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 241' ' ' PRO . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.61 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 244' ' ' LEU . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 247' ' ' ILE . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.706 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 313' ' ' ALA . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.607 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.637 ' CE2' HG23 ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.684 HG23 ' HE1' ' A' ' 296' ' ' PHE . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 313' ' ' ALA . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.754 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.684 ' HE1' HG23 ' A' ' 275' ' ' VAL . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 302' ' ' ILE . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.483 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 272' ' ' MET . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.908 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.896 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.817 ' OG1' HG22 ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.769 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.841 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.986 HG23 ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 319' ' ' LEU . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.986 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 229' ' ' LEU . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 251' ' ' LEU . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.624 ' HA ' HD22 ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB3' HD11 ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.763 ' HA ' HD23 ' A' ' 330' ' ' LEU . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.425 ' SD ' HG13 ' A' ' 243' ' ' VAL . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . 0.612 ' OG ' HG21 ' A' ' 243' ' ' VAL . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.705 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' A' ' 334' ' ' SER . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.667 HG21 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.908 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 347' ' ' GLU . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.677 ' N ' HD12 ' A' ' 346' ' ' LEU . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.59 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 248' ' ' VAL . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' A' ' 244' ' ' LEU . 95.4 mm-40 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 337' ' ' ILE . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 251' ' ' LEU . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 244' ' ' LEU . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.745 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 247' ' ' ILE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.596 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.603 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.806 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 313' ' ' ALA . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.782 HG22 ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.502 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.654 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.613 ' CE2' HG23 ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.675 HG23 ' HE1' ' A' ' 296' ' ' PHE . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.844 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.726 ' C ' HG22 ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.595 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.805 ' HB2' HG13 ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.607 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.675 ' HE1' HG23 ' A' ' 275' ' ' VAL . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.538 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 341' ' ' PHE . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 296' ' ' PHE . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.806 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.844 HG12 ' HA3' ' A' ' 278' ' ' GLY . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.822 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 251' ' ' LEU . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.745 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . 0.407 ' CG2' HD21 ' A' ' 235' ' ' LEU . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 302' ' ' ILE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.857 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.659 HG22 ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.857 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.659 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.595 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 320' ' ' LEU . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 248' ' ' VAL . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.418 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 244' ' ' LEU . 93.3 mm-40 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.773 ' HB2' HD11 ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 241' ' ' PRO . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.908 ' HA ' HD12 ' A' ' 251' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.892 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.996 HD13 ' O ' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . 0.786 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.891 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.847 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.865 HG23 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 262' ' ' ILE . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.764 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.442 ' C ' HD21 ' A' ' 301' ' ' LEU . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.618 ' CA ' HD11 ' A' ' 301' ' ' LEU . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.668 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.773 ' HB2' HD12 ' A' ' 320' ' ' LEU . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.638 HG23 ' HE1' ' A' ' 296' ' ' PHE . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.477 HG11 ' HG ' ' A' ' 229' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 317' ' ' VAL . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.646 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.896 HG13 ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.896 ' HB2' HG13 ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.473 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' A' ' 275' ' ' VAL . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.446 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.668 HD12 ' HG2' ' A' ' 272' ' ' MET . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.731 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.847 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.646 HG12 ' HA3' ' A' ' 278' ' ' GLY . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 256' ' ' VAL . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 274' ' ' PHE . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 330' ' ' LEU . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.746 ' CD2' ' HB3' ' A' ' 325' ' ' ALA . 39.7 t60 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.746 ' HB3' ' CD2' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.892 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . 0.4 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.78 ' HB3' HD12 ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.78 HD12 ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.802 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.885 HG22 ' HD3' ' A' ' 348' ' ' ARG . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.731 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 346' ' ' LEU . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.839 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 0.826 HG21 HG22 ' A' ' 248' ' ' VAL . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 337' ' ' ILE . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.811 ' HB1' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.763 ' HG ' HD13 ' A' ' 322' ' ' LEU . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 313' ' ' ALA . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.522 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.632 ' HE1' ' HB2' ' A' ' 295' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.688 HG23 ' HE1' ' A' ' 296' ' ' PHE . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.48 HG11 ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.677 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.83 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 287' ' ' PRO . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.83 ' HB2' HG13 ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.632 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.688 ' HE1' HG23 ' A' ' 275' ' ' VAL . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.712 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.594 HD12 ' HG2' ' A' ' 272' ' ' MET . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.712 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.856 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.856 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.677 HG12 ' HA3' ' A' ' 278' ' ' GLY . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 229' ' ' LEU . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.763 HD13 ' HG ' ' A' ' 251' ' ' LEU . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.479 ' HA ' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.811 ' OD2' ' HB1' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.659 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 238' ' ' LYS . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.912 HG22 ' HD3' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.912 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.516 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 1.017 ' CG2' HG23 ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . 0.762 ' HB2' HD11 ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.017 HG23 ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.563 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.73 ' O ' HD22 ' A' ' 319' ' ' LEU . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.781 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 313' ' ' ALA . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.66 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.686 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 296' ' ' PHE . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.695 HG21 HD23 ' A' ' 320' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.686 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.436 ' O ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . 0.751 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.889 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.737 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.889 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.505 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.683 ' HE1' HG23 ' A' ' 275' ' ' VAL . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.741 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.686 HD12 ' HG2' ' A' ' 272' ' ' MET . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . 0.87 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.854 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.686 HG12 ' HA3' ' A' ' 278' ' ' GLY . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.454 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.979 ' CD2' HD23 ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.686 ' HA ' HD23 ' A' ' 330' ' ' LEU . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.692 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.837 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 346' ' ' LEU . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.979 HG22 ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.979 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' TRP . . . . . 0.663 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' VAL . . . . . 1.062 HG11 HD21 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 235' ' ' LEU . . . . . 0.588 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 236' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 330' ' ' LEU . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' LEU . . . . . 1.062 HD21 HG11 ' A' ' 230' ' ' VAL . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.635 HD12 ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.033 HG22 HG21 ' A' ' 230' ' ' VAL . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 251' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 253' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 254' ' ' ARG . . . . . 0.625 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 255' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 318' ' ' SER . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 258' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 262' ' ' ILE . . . . . 0.856 HD11 ' HB2' ' A' ' 313' ' ' ALA . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 263' ' ' CYS . . . . . 0.48 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.58 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 265' ' ' ILE . . . . . 0.569 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.423 ' HA ' HD21 ' A' ' 301' ' ' LEU . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' ARG . . . . . 0.7 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' MET . . . . . 0.743 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' PHE . . . . . 0.715 ' CE2' HG23 ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 292' ' ' PRO . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' VAL . . . . . 0.469 HG11 ' HG ' ' A' ' 229' ' ' LEU . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' GLY . . . . . 0.679 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' ALA . . . . . 0.796 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' PRO . . . . . 0.57 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' PHE . . . . . 0.71 ' HE1' HG23 ' A' ' 275' ' ' VAL . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.743 HD12 ' HG2' ' A' ' 272' ' ' MET . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' ILE . . . . . 0.915 HD13 ' HB2' ' A' ' 345' ' ' ALA . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' SER . . . . . . . . . . . . . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' THR . . . . . 0.796 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.856 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' THR . . . . . 0.834 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' VAL . . . . . 0.679 HG12 ' HA3' ' A' ' 278' ' ' GLY . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 255' ' ' THR . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.549 ' HB2' HD22 ' A' ' 301' ' ' LEU . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . 0.635 ' OD2' HD12 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' PHE . . . . . 0.819 ' HA ' HD23 ' A' ' 330' ' ' LEU . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' SER . . . . . 0.644 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 334' ' ' SER . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' THR . . . . . 0.894 HG22 ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ALA . . . . . 0.915 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' ARG . . . . . 0.894 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' ARG . . . . . 0.436 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 28.6 ptt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 57.3 p -100.24 158.22 16.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 53.87 100.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -149.31 61.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.01 -40.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.62 51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 224' ' ' VAL . 7.0 mmt85 42.21 58.71 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.18 -36.67 34.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -40.38 72.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.37 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.431 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 13.0 t80 -67.76 -33.09 74.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 220' ' ' ARG . 12.4 t -72.94 -36.79 52.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -34.44 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.36 -30.78 67.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.665 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -49.51 71.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 11.5 pt20 -68.42 -30.06 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 320' ' ' LEU . 0.8 OUTLIER -69.82 -39.31 76.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.941 HG11 HD21 ' A' ' 244' ' ' LEU . 13.8 t -72.0 -26.42 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -68.95 -23.12 64.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.96 -12.02 59.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.25 114.63 38.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -23.7 13.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.45 -36.88 69.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.489 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.24 -13.97 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -76.99 -16.71 59.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.646 ' CB ' HD11 ' A' ' 337' ' ' ILE . 17.4 mttt -79.34 1.17 26.09 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 236' ' ' PHE . 10.8 mt -99.05 142.99 29.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -54.62 -176.16 0.12 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.704 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.42 45.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.401 ' O ' ' HB ' ' A' ' 247' ' ' ILE . 21.6 t -77.91 -49.0 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.941 HD21 HG11 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -63.79 -32.88 74.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 241' ' ' PRO . 42.1 t -74.43 -35.22 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.89 48.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.62 -29.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 244' ' ' LEU . 51.4 t -73.07 -37.35 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -77.53 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.671 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -100.08 -32.86 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 320' ' ' LEU . 0.8 OUTLIER -89.2 149.98 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.81 139.88 45.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 125.68 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.67 131.24 27.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.2 m -98.09 138.96 34.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -113.17 126.62 27.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.411 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.0 152.22 40.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.864 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.49 132.84 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.73 -6.6 79.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -80.77 118.87 22.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.4 t -73.8 125.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 313' ' ' ALA . 11.1 mt -96.92 -38.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.1 m -139.23 143.26 37.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 0.7 OUTLIER -127.29 122.03 32.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.853 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.6 tt -52.86 130.68 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 106.23 -42.15 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -68.2 141.47 93.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.248 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.17 16.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -81.41 122.01 5.58 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.36 25.87 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.578 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.2 OUTLIER -172.05 152.78 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.709 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.5 mmm -101.26 167.82 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.654 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 32.9 m-85 -143.53 138.69 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 17.8 m-85 -137.35 124.99 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 292' ' ' PRO . 78.3 t -76.15 129.35 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.8 t -104.79 -46.29 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.95 132.39 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.28 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.779 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 108.93 -169.46 13.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 15.9 m -131.61 160.22 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.99 157.47 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.57 132.05 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.7 t -79.41 143.92 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.747 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.97 95.1 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.84 176.33 1.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.91 -26.17 11.36 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.3 m120 -134.86 60.4 40.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.01 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 14.0 t -153.45 164.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.9 tt0 -98.14 119.61 37.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 279' ' ' SER . 43.9 mt -96.26 152.52 18.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.17 -172.24 13.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.713 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.91 141.26 26.71 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.4 19.28 38.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.59 151.76 38.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 0.711 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.1 p90 -124.72 146.16 49.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.8 p90 -149.89 159.31 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 82.83 33.41 24.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.496 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.9 -20.29 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 0.811 . . . . 0.0 110.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.517 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -59.46 -37.3 77.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -73.6 -45.55 52.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 272' ' ' MET . 85.1 mt -75.03 -9.88 58.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 345' ' ' ALA . 8.8 mt -85.61 -40.52 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.09 -56.04 1.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.08 -8.91 3.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.74 159.51 5.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 160.65 39.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.8 116.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.719 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.2 p -60.52 -25.52 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.59 160.8 20.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.853 ' OG1' HG22 ' A' ' 265' ' ' ILE . 2.5 m -80.05 135.34 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.1 t -117.4 132.9 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.7 p -139.76 129.43 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -70.43 116.54 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.06 -36.1 78.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.864 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.7 t -146.23 179.09 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.09 104.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.779 HG12 ' HA3' ' A' ' 278' ' ' GLY . 12.6 m -126.35 142.16 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 1.6 t -93.02 128.38 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.8 OUTLIER -137.09 166.0 24.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 229' ' ' LEU . 0.7 OUTLIER -108.67 153.42 23.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 4.8 p -116.09 134.31 55.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.843 HD21 ' CD2' ' A' ' 330' ' ' LEU . 15.5 tp -122.1 140.66 52.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -75.61 151.2 37.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -65.06 -36.51 84.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.62 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.671 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.03 -29.88 60.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.621 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 52.6 t80 -69.91 -40.11 75.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -29.86 61.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 110.237 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 329' ' ' MET . 15.9 tmm? -77.25 -36.59 54.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.843 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.9 OUTLIER -75.63 -32.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 4.9 p -70.68 -30.38 66.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -28.75 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.4 t -70.23 -43.39 70.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.77 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -122.26 118.64 28.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.018 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.94 18.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.19 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.77 HD12 ' CB ' ' A' ' 334' ' ' SER . 50.0 mt -69.44 -31.29 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.84 66.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 5.1 tt0 -75.73 -33.93 60.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -32.23 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.621 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.8 m-85 -72.24 -42.77 65.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.52 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -67.06 -28.77 68.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.708 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.0 OUTLIER -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.825 HG22 ' HD3' ' A' ' 348' ' ' ARG . 90.6 m -77.98 -32.09 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.876 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.34 -36.12 78.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 1.081 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.5 OUTLIER -72.43 -42.37 65.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -43.64 83.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.825 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.9 mpt_? -71.65 -42.28 67.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 345' ' ' ALA . 21.9 ttt180 -67.12 -40.83 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -170.9 -114.02 0.31 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 1.081 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 79.57 8.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -142.09 -49.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -82.48 -62.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 35.2 t -41.65 -54.1 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.623 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.08 134.75 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.797 . . . . 0.0 109.963 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.51 172.03 10.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.89 62.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 74.2 t -85.14 -56.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -158.86 43.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.357 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER -86.51 66.34 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -76.4 -38.73 32.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.98 70.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 0.726 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.518 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 32.6 t80 -66.89 -30.79 71.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 220' ' ' ARG . 60.0 t -70.06 -44.84 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.56 -34.82 78.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.636 ' O ' HG23 ' A' ' 230' ' ' VAL . 3.9 m-20 -68.69 -30.25 68.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.518 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.11 -39.93 96.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -34.12 66.14 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.713 ' HG ' HG11 ' A' ' 276' ' ' VAL . 7.4 mp -69.24 -38.19 78.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 226' ' ' ASN . 69.3 t -71.28 -26.8 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.06 -22.22 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.04 -14.22 59.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.47 113.43 50.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -24.6 12.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -38.31 71.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.525 ' HD1' HG21 ' A' ' 247' ' ' ILE . 15.2 m-85 -79.67 -19.28 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -79.19 -17.42 54.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 337' ' ' ILE . 17.1 mttt -74.08 -7.06 51.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.406 ' HG ' ' CD1' ' A' ' 337' ' ' ILE . 10.9 mt -95.8 150.1 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -48.31 178.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.02 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.43 -24.5 46.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 40.2 t -77.25 -45.78 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.3 tp -64.37 -34.39 78.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 241' ' ' PRO . 52.6 t -70.92 -35.86 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.37 -28.3 47.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -77.57 -30.89 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 244' ' ' LEU . 77.8 t -71.76 -38.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -15.38 59.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.617 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -91.14 -37.22 13.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 320' ' ' LEU . 3.9 pp -79.3 141.38 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -122.45 125.42 45.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.56 122.94 28.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.534 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.46 139.2 36.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 87.6 m -98.87 139.87 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.3 129.54 25.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.4 Cg_endo -74.99 154.56 42.65 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.843 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.67 142.82 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.95 -8.89 76.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.83 118.43 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.84 133.45 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.576 ' CG2' ' CE2' ' A' ' 273' ' ' PHE . 13.8 mt -100.33 -41.09 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.96 147.97 44.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 108.266 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.682 ' HA ' HG23 ' A' ' 310' ' ' THR . 7.4 ttm180 -130.01 129.33 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.9 141.3 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.04 -45.31 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.02 140.35 97.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 0.803 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.19 18.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -91.25 125.43 8.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.421 ' HA ' HD21 ' A' ' 301' ' ' LEU . 0.1 OUTLIER -133.15 26.71 4.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.682 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -161.89 152.85 17.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CE2' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -103.68 167.47 9.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 62.8 m-85 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CE2' ' SD ' ' A' ' 272' ' ' MET . 2.5 m-85 -145.16 124.82 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 292' ' ' PRO . 74.7 t -75.53 126.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.713 HG11 ' HG ' ' A' ' 229' ' ' LEU . 98.6 t -105.7 -34.43 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.85 131.36 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.823 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.11 -169.17 16.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.425 1.078 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 28.4 m -133.07 158.93 41.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.34 157.76 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.672 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -125.76 132.49 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.8 t -79.22 143.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.931 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.87 95.09 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.83 176.34 1.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.487 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -134.93 60.49 41.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.576 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.6 t -153.22 164.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.49 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.2 tt0 -98.4 119.22 36.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 37.4 mt -96.33 151.05 19.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -172.94 13.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 129.07 12.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 106.46 15.74 16.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.82 151.36 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.445 ' HB2' ' HE3' ' A' ' 272' ' ' MET . 1.6 p90 -123.01 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.704 ' HE1' HG23 ' A' ' 275' ' ' VAL . 18.7 p90 -150.83 159.53 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . 0.486 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.24 33.99 30.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.803 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.0 OUTLIER -109.14 -20.83 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.05 -39.4 71.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.89 -41.27 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.682 HD11 ' CA ' ' A' ' 271' ' ' ARG . 63.2 mt -74.5 -9.99 59.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.394 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.985 HD13 ' HB2' ' A' ' 345' ' ' ALA . 0.5 OUTLIER -85.94 -40.16 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 -56.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 139.37 -8.63 3.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.32 160.65 3.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.41 31.36 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.414 1.744 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.486 ' NH2' ' CA ' ' A' ' 297' ' ' GLY . 0.0 OUTLIER -46.14 118.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.639 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.5 p -65.77 -21.46 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.8 160.62 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.931 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 26.5 m -82.34 135.61 35.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 262' ' ' ILE . 2.7 t -116.09 132.57 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 53.0 p -140.39 129.16 23.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.55 117.0 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.16 -35.34 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.843 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.2 t -145.82 178.13 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 8.8 m -65.37 105.0 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.823 HG12 ' HA3' ' A' ' 278' ' ' GLY . 21.1 m -125.33 147.19 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -102.49 119.75 39.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.828 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -130.81 164.93 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.6 mp -109.42 152.68 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 12.5 m -111.19 142.93 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 145.17 49.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.03 153.19 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.405 ' HA ' HD22 ' A' ' 301' ' ' LEU . 89.5 p -64.85 -35.42 81.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.43 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.617 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 38.6 m-20 -75.38 -31.12 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.616 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 55.1 t80 -72.98 -37.65 66.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . 0.405 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 8.0 mt-30 -74.62 -29.85 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 16.1 ttp -77.14 -36.53 55.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.619 ' CD1' HG21 ' A' ' 337' ' ' ILE . 1.4 pp -75.14 -33.42 61.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 5.6 p -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.6 p -74.24 -32.38 62.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 29.0 t -69.67 -46.98 64.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.7 ' HB2' HD12 ' A' ' 337' ' ' ILE . 3.9 m -116.01 118.66 38.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.89 18.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.49 -36.85 60.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.7 HD12 ' HB2' ' A' ' 334' ' ' SER . 57.3 mt -67.72 -35.24 71.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.65 72.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -39.42 58.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -32.65 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.616 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 4.5 m-85 -72.88 -44.55 61.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.407 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -64.38 -31.6 72.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.862 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -73.14 -37.93 66.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 348' ' ' ARG . 1.3 m -77.73 -33.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.39 -33.91 73.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.955 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -72.06 -42.59 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.753 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -67.93 -41.61 82.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 344' ' ' THR . 1.0 OUTLIER -71.19 -43.03 68.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.45 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 4.8 ttt180 -67.69 -43.49 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -157.58 -123.03 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.955 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 59.41 19.14 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.78 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -45.47 113.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.1 m -43.91 149.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.603 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.48 141.45 4.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 0.72 . . . . 0.0 110.024 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -77.79 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -130.14 63.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.45 -52.41 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -162.54 51.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 mmt85 46.6 58.92 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -37.06 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.45 -35.71 60.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 40.1 t80 -69.37 -32.74 71.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 220' ' ' ARG . 55.9 t -71.62 -40.18 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 229' ' ' LEU . 16.7 ttm180 -69.36 -34.71 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 253' ' ' ALA . 10.4 m-20 -71.1 -30.83 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.496 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -64.07 -48.5 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.2 -32.02 71.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 320' ' ' LEU . 4.6 mp -70.09 -39.49 75.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 248' ' ' VAL . 3.7 t -71.81 -27.02 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.33 -23.13 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.53 -18.29 58.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.9 t -110.42 114.12 55.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.32 12.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.535 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -56.65 -38.17 71.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 239' ' ' LEU . 5.6 m-85 -79.69 -20.87 45.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -78.48 -16.9 57.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.65 -5.34 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.565 HD11 HD13 ' A' ' 330' ' ' LEU . 1.8 mt -96.73 151.93 19.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.92 -179.37 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.93 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.31 51.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 20.7 t -77.56 -44.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.2 tp -64.29 -32.67 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.229 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.27 -36.03 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -28.93 49.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.3 tp -76.48 -32.2 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 230' ' ' VAL . 58.4 t -72.59 -40.27 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.071 . . . . 0.0 110.34 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -92.32 -36.3 13.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 321' ' ' SER . 4.2 pp -88.33 151.36 22.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.89 136.75 48.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . 0.477 ' HB2' ' OD1' ' A' ' 226' ' ' ASN . . . -82.44 124.32 29.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.02 135.94 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.442 1.088 . . . . 0.0 110.368 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 11.8 m -98.57 138.19 36.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.751 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -111.24 125.96 29.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.01 152.02 40.18 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.52 130.59 24.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.61 -6.27 80.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.64 120.86 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.357 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.61 117.38 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 313' ' ' ALA . 19.4 mt -92.14 -43.68 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.5 m -132.71 139.53 47.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 9.2 ttp-105 -119.65 121.1 38.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.816 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.7 tt -54.86 143.73 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.73 -43.8 2.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 10.2 mm-40 -69.31 141.03 90.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 0.773 . . . . 0.0 110.279 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -74.99 140.55 25.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -90.83 135.89 13.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.29 24.32 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 3.5 ptp85 -167.46 161.04 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.677 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.5 mmm -106.81 166.67 10.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 69.9 m-85 -141.8 137.82 31.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 10.6 m-85 -136.76 124.9 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.698 HG23 ' HE1' ' A' ' 296' ' ' PHE . 70.6 t -75.18 131.61 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 229' ' ' LEU . 90.8 t -104.32 -49.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -147.67 130.59 16.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.339 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.731 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.68 -169.12 12.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 22.7 m -131.79 159.42 38.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.5 t -130.85 157.82 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.4 OUTLIER -127.06 132.1 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.958 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.891 HG12 ' CG2' ' A' ' 284' ' ' THR . 56.9 t -79.48 144.02 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.752 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.64 94.97 9.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.891 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.16 176.22 1.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.93 -26.14 11.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.92 60.59 41.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.568 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.04 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.36 164.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.491 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.8 tt0 -97.92 119.74 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.223 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.5 mt -95.9 152.57 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -130.13 -171.04 12.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.673 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.0 Cg_endo -75.03 141.23 26.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.599 1.842 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 90.05 20.18 43.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.53 139.93 52.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.607 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.6 p90 -115.57 146.37 41.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.698 ' HE1' HG23 ' A' ' 275' ' ' VAL . 19.3 p90 -149.74 157.26 43.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.74 33.48 18.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.1 pm0 -100.89 -20.65 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.775 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 31.1 mtp -58.55 -38.29 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -74.37 -36.59 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.677 HD12 ' HG2' ' A' ' 272' ' ' MET . 18.5 mt -78.63 -13.03 60.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.655 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 9.2 mt -78.64 -48.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.03 -60.06 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.909 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 141.95 40.39 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.07 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.08 159.89 34.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.05 147.7 34.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 306' ' ' PRO . 0.0 OUTLIER -37.15 104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.769 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.4 OUTLIER -48.33 -25.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.772 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.77 160.27 19.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.816 ' OG1' HG22 ' A' ' 265' ' ' ILE . 43.1 m -81.57 135.33 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 10.3 t -117.25 131.4 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 9.6 p -138.74 128.83 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.729 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.98 117.2 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.66 -34.4 77.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.809 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.62 176.9 9.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.4 m -64.92 104.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.19 . . . . 0.0 110.363 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.731 HG12 ' HA3' ' A' ' 278' ' ' GLY . 10.0 m -127.39 143.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 276' ' ' VAL . 5.5 m -92.07 131.93 36.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 256' ' ' VAL . 0.7 OUTLIER -139.37 165.38 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 229' ' ' LEU . 1.0 OUTLIER -107.75 153.45 22.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.5 OUTLIER -117.34 134.17 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 326' ' ' ASP . 14.7 tp -124.63 139.3 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.748 ' CD2' ' HB3' ' A' ' 325' ' ' ALA . 56.0 t60 -79.22 154.21 29.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.621 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.464 ' HA ' HD22 ' A' ' 301' ' ' LEU . 68.0 p -64.44 -35.78 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.748 ' HB3' ' CD2' ' A' ' 323' ' ' HIS . . . -71.54 -32.64 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.511 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 8.6 t0 -74.85 -31.75 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 18.9 t80 -72.68 -36.78 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.75 -30.23 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 29.2 ttp -76.85 -35.67 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -75.76 -34.75 60.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 67.0 m -70.95 -30.47 66.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 5.8 p -72.96 -28.81 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -35.91 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.07 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.58 117.46 8.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.1 19.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.554 1.818 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -36.45 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 235' ' ' LEU . 62.3 mt -68.09 -36.0 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.74 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 20.2 mt-10 -75.55 -32.38 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.666 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 1.0 OUTLIER -72.26 -44.38 62.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -65.37 -29.02 69.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.827 ' HA ' HD23 ' A' ' 346' ' ' LEU . 13.8 mmmt -68.04 -42.12 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.853 HG22 ' HD3' ' A' ' 348' ' ' ARG . 80.3 m -77.81 -32.89 52.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 299' ' ' MET . . . -64.91 -31.92 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.3 OUTLIER -71.19 -37.5 72.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.862 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 63.3 mt-10 -74.21 -38.37 63.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.853 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.1 mpt_? -70.93 -43.52 68.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 299' ' ' MET . 16.3 ttt180 -69.56 -45.37 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.256 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -152.73 -122.56 0.94 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.917 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 57.43 18.82 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 353' ' ' ALA . . . -46.16 152.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 352' ' ' ALA . . . 75.79 -73.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.61 103.84 15.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.603 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 3.1 m -169.23 168.25 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 76.27 -57.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -73.83 72.37 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 218' ' ' VAL . 39.0 t -114.79 26.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 218' ' ' VAL . 29.2 ttt180 86.0 36.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 49.78 60.99 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.73 -36.05 2.11 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.34 -33.36 55.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.429 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 19.9 t80 -69.66 -31.23 69.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.39 -44.06 72.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 228' ' ' GLN . 0.0 OUTLIER -67.56 -34.62 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -70.04 -30.08 67.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.511 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.26 -47.07 83.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 12.2 pt20 -71.31 -30.83 66.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.692 ' CG ' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -70.91 -37.94 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.382 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 248' ' ' VAL . 3.8 t -71.78 -26.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.46 -16.42 59.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -107.63 113.99 60.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.29 13.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.436 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -56.67 -40.1 74.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -78.42 -13.36 59.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -78.99 -19.5 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 337' ' ' ILE . 9.0 mttt -77.92 -0.51 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 330' ' ' LEU . 62.5 mt -99.71 143.38 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.37 -176.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.719 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.786 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.68 46.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 333' ' ' SER . 3.9 t -77.64 -46.7 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 241' ' ' PRO . 62.1 t -71.02 -34.52 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -28.61 48.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -78.81 -29.87 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 244' ' ' LEU . 79.2 t -73.22 -41.62 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -77.51 -9.01 58.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' A' ' 326' ' ' ASP . . . -97.74 -35.72 10.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -80.88 150.88 28.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.387 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.79 124.28 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.87 122.65 28.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.2 OUTLIER -139.19 140.81 37.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . 0.429 ' HG1' ' HG ' ' A' ' 318' ' ' SER . 85.0 m -100.94 140.14 35.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.521 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -120.51 130.82 24.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.5 Cg_endo -75.01 154.24 42.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.862 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.85 143.51 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.56 -10.96 67.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -80.6 120.2 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.59 129.77 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.818 HD11 ' HB2' ' A' ' 313' ' ' ALA . 10.4 mt -101.99 -41.64 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.86 142.89 49.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.2 ttp180 -128.26 122.02 30.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.0 tt -54.09 138.51 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 98.21 -44.89 1.73 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.56 141.63 97.15 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.87 21.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.08 126.07 8.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 301' ' ' LEU . 4.2 t70 -131.51 27.71 4.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.637 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -168.28 152.96 6.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.536 ' SD ' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.74 167.32 10.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 49.5 m-85 -143.31 139.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.536 ' CE1' ' SD ' ' A' ' 272' ' ' MET . 16.2 m-85 -138.72 124.71 20.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.662 HG23 ' HE1' ' A' ' 296' ' ' PHE . 98.4 t -77.81 126.76 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.692 HG11 ' CG ' ' A' ' 229' ' ' LEU . 75.7 t -105.59 -46.26 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -142.75 132.7 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 103.65 -165.15 15.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 290' ' ' LEU . 4.6 m -140.91 159.8 41.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.698 HG22 ' HB2' ' A' ' 290' ' ' LEU . 4.7 m -131.39 155.23 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.6 OUTLIER -120.9 133.37 55.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.2 t -74.84 145.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.55 94.5 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.45 176.58 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.442 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.95 -26.13 11.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 4.4 m120 -135.19 60.39 39.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.583 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.6 Cg_endo -74.98 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 9.7 t -152.89 163.61 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 17.6 tt0 -101.49 117.17 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.698 ' HB2' HG22 ' A' ' 280' ' ' VAL . 32.6 mt -96.97 151.7 19.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.26 -170.34 13.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -75.03 130.17 12.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 107.12 15.44 16.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -115.41 158.81 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.637 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.0 p90 -132.26 145.86 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE1' HG23 ' A' ' 275' ' ' VAL . 3.7 p90 -150.29 160.1 43.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.87 31.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.509 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -105.55 -20.63 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.56 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.0 OUTLIER -61.01 -35.36 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -75.12 -43.61 51.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.637 HD11 ' CA ' ' A' ' 271' ' ' ARG . 19.9 mt -74.38 -9.76 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.961 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.5 mt -85.78 -40.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 -54.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.57 -6.42 3.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.162 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.74 158.98 5.65 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.84 42.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.43 1.752 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -40.03 109.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.711 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.7 p -60.28 -19.15 53.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.35 160.54 18.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 70.1 m -87.39 135.38 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.73 130.4 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.1 p -135.01 129.38 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.18 116.7 9.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -65.65 -33.83 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.862 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.2 t -145.83 179.5 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 89.6 m -66.36 105.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 19.4 m -126.0 147.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.55 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.8 OUTLIER -104.86 119.48 39.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.3 165.27 19.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 276' ' ' VAL . 1.1 mp -105.9 149.66 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 24.6 m -113.95 128.92 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 327' ' ' PHE . 2.2 tp -119.45 135.65 54.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.78 153.35 42.85 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.519 1.137 . . . . 0.0 109.637 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.49 ' HB2' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.91 -32.77 74.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.91 -33.8 68.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.442 ' CG ' ' HB1' ' A' ' 250' ' ' ALA . 72.0 m-20 -75.14 -29.14 60.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.188 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.822 ' HA ' HD23 ' A' ' 330' ' ' LEU . 66.4 t80 -71.03 -39.47 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.1 -30.3 62.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 329' ' ' MET . 6.6 tmm? -75.35 -32.59 60.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.18 -32.77 61.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.8 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.204 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.8 p -73.26 -30.3 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . 0.447 ' CB ' HG11 ' A' ' 243' ' ' VAL . 40.0 t -72.76 -44.19 61.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.812 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.9 OUTLIER -123.14 116.45 28.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.982 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -18.37 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -32.98 58.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.812 HD12 ' HB3' ' A' ' 334' ' ' SER . 60.0 mt -69.09 -32.86 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.96 70.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -75.19 -32.24 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.15 -31.81 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 4.2 m-85 -74.74 -45.28 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.52 -30.17 71.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.744 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.3 mtpp -72.94 -37.96 66.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.917 HG22 ' HD3' ' A' ' 348' ' ' ARG . 88.8 m -78.8 -32.59 46.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.961 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -69.94 -37.09 75.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.6 OUTLIER -71.33 -37.58 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 2.0 tt0 -73.97 -37.49 64.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.917 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.3 mpt_? -71.74 -44.02 64.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 34.3 ptt180 -70.42 -42.27 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -165.3 -122.42 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 1.064 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 83.69 -69.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.14 134.25 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 355' ' ' ALA . . . 63.98 -158.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.76 -85.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.05 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 353' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.622 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 95.2 p -139.13 132.94 30.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.87 115.58 30.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.38 69.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 95.2 t -87.62 -58.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -157.12 44.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 46.42 59.55 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -105.52 -35.51 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.44 -37.41 60.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 46.7 t80 -67.3 -30.86 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 220' ' ' ARG . 76.9 t -69.54 -44.11 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.0 OUTLIER -66.66 -34.33 77.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -68.82 -29.82 68.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -62.06 -39.91 94.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.73 -32.97 64.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.776 ' HG ' HG11 ' A' ' 276' ' ' VAL . 9.9 mp -68.93 -40.95 78.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 248' ' ' VAL . 53.2 t -71.85 -27.26 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.15 -22.67 61.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.1 -14.26 59.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.4 t -112.51 113.3 50.89 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -23.48 13.65 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.512 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.68 -41.29 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -76.56 -14.71 59.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -79.53 -21.3 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.236 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.734 ' CB ' HD11 ' A' ' 337' ' ' ILE . 10.4 mttt -75.26 -2.75 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.573 HD22 HG11 ' A' ' 243' ' ' VAL . 51.9 mt -95.8 146.24 24.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 244' ' ' LEU . . . -50.06 -177.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.16 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.435 1.755 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.91 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 239' ' ' LEU . 45.0 t -77.38 -44.48 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.4 tp -63.66 -36.14 82.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 10.0 t -72.67 -33.75 45.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -78.33 -28.47 47.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.558 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -78.33 -31.48 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 244' ' ' LEU . 88.2 t -73.72 -40.85 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -77.41 -9.9 59.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.613 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -95.4 -37.69 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 320' ' ' LEU . 4.4 pp -79.08 153.11 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.18 124.93 28.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.38 122.62 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.489 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.5 OUTLIER -139.4 138.47 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.5 m -98.43 140.31 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.406 HG13 ' HD3' ' A' ' 254' ' ' ARG . 0.0 OUTLIER -122.53 129.27 25.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.65 42.52 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.13 139.28 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 95.55 -7.28 68.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -85.97 118.94 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.89 123.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 313' ' ' ALA . 24.6 mt -92.73 -46.28 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.74 145.36 44.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 108.371 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 310' ' ' THR . 13.4 ttt180 -129.92 128.53 42.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 6.0 tt -53.43 135.39 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.13 -51.81 0.79 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 11.2 mm-40 -65.21 137.65 96.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.3 Cg_endo -75.02 145.56 31.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -97.4 144.26 17.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.96 20.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 273' ' ' PHE . 0.0 OUTLIER -160.47 153.01 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.509 ' SD ' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.07 168.38 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.063 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 51.6 m-85 -144.14 139.82 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.509 ' CZ ' ' SD ' ' A' ' 272' ' ' MET . 13.0 m-85 -138.43 125.4 21.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 292' ' ' PRO . 75.7 t -78.3 128.22 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.776 HG11 ' HG ' ' A' ' 229' ' ' LEU . 84.3 t -105.78 -40.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.86 132.81 17.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.842 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.6 -168.98 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 17.6 m -133.7 160.13 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.37 157.94 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.21 132.26 51.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 62.0 t -79.31 144.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.89 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.9 95.24 10.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.17 176.14 1.17 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.447 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.6 m120 -134.99 60.53 41.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.58 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 11.0 t -152.44 164.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.484 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 13.7 tt0 -98.36 119.62 37.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 279' ' ' SER . 35.7 mt -95.75 151.98 18.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -129.08 -173.37 13.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.748 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.88 126.78 10.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.68 13.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.44 150.26 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.2 p90 -125.52 145.55 50.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.662 ' HE2' HG23 ' A' ' 275' ' ' VAL . 31.5 p90 -150.24 161.41 42.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.07 33.33 26.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.11 -20.55 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.722 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.74 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.724 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.46 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.419 HD22 ' HB2' ' A' ' 324' ' ' SER . 13.6 mt -66.75 -17.21 64.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 34.3 mt -86.33 -44.99 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.9 m -120.34 -56.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 132.39 0.44 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -55.36 159.5 4.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.478 0.752 . . . . 0.0 110.196 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -75.01 151.38 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.724 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -35.15 103.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.711 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.8 p -53.27 -22.27 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.71 160.84 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.89 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 87.5 m -82.66 135.87 34.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 262' ' ' ILE . 3.9 t -117.53 130.88 71.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 10.7 p -139.38 129.17 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.97 116.78 9.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.1 82.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.905 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.8 179.7 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 104.88 1.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.842 HG12 ' HA3' ' A' ' 278' ' ' GLY . 23.3 m -125.08 145.72 31.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.485 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.7 OUTLIER -102.14 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -129.59 165.08 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 251' ' ' LEU . 2.1 mp -107.23 150.6 26.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 131.84 55.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 330' ' ' LEU . 8.8 tp -117.4 144.15 45.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -82.44 153.23 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.626 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.6 p -65.55 -31.09 71.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.03 -33.15 67.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.613 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.5 OUTLIER -75.17 -33.23 61.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.625 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 37.7 t80 -68.99 -36.88 78.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -74.58 -29.52 61.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 34.5 ttp -75.76 -38.68 58.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.698 HD21 HD21 ' A' ' 322' ' ' LEU . 4.6 pp -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 330' ' ' LEU . 0.8 OUTLIER -67.98 -39.24 83.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.312 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 2.2 t -73.57 -28.81 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -42.78 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.825 ' HB3' HD12 ' A' ' 337' ' ' ILE . 5.5 t -125.23 119.79 25.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.98 14.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -37.0 61.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.242 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.825 HD12 ' HB3' ' A' ' 334' ' ' SER . 70.8 mt -68.49 -32.56 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.81 69.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.38 -38.83 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.625 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.5 m-85 -73.09 -42.74 62.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.415 ' CD ' ' C ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.47 -32.05 73.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.735 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.6 OUTLIER -68.25 -37.21 80.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 348' ' ' ARG . 1.7 m -77.51 -32.72 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -69.77 -38.41 76.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.735 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.37 -41.9 69.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.738 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 1.7 mm-40 -65.73 -44.01 87.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.85 -37.95 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -68.77 -45.19 72.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . -148.13 -119.99 1.1 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 51.62 33.97 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 351' ' ' ALA . . . 66.49 144.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -47.49 153.29 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 16.5 m 65.25 162.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.0 t -159.09 153.28 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.96 70.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 38.56 68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.35 -58.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -149.67 33.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.327 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.1 mmt-85 -114.83 61.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -81.66 -36.0 20.83 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.458 1.098 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.05 -38.42 66.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.439 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 10.2 t80 -66.69 -31.4 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 220' ' ' ARG . 10.4 t -69.33 -42.59 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -34.65 78.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.23 -31.31 70.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.798 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.13 -41.31 97.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 107.994 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -32.78 65.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.5 mp -70.39 -38.57 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 244' ' ' LEU . 25.4 t -71.97 -26.54 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.58 61.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -78.78 -17.18 56.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 36.3 t -108.98 114.37 58.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.1 Cg_endo -75.06 -23.91 13.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.2 OUTLIER -56.25 -37.2 69.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.607 ' CD1' HD23 ' A' ' 235' ' ' LEU . 22.2 m-85 -81.27 -15.35 55.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 234' ' ' PRO . 98.0 mm-40 -76.16 -16.55 59.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 337' ' ' ILE . 11.7 mttt -76.04 -2.76 32.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 330' ' ' LEU . 6.6 mt -97.61 145.64 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.57 -176.46 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.2 Cg_endo -75.07 -40.07 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.98 -27.02 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.04 -48.58 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 230' ' ' VAL . 1.1 tt -64.55 -33.95 77.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 241' ' ' PRO . 6.6 t -70.91 -36.34 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.97 -29.02 49.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.807 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.36 -32.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 230' ' ' VAL . 2.7 t -71.08 -28.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -21.17 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.577 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -97.44 -33.43 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.807 HD12 HG23 ' A' ' 247' ' ' ILE . 2.4 mt -67.39 141.66 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 146.42 48.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -105.83 127.34 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -139.23 130.31 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.9 m -98.57 139.38 34.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -126.3 135.72 27.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.0 155.97 42.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.873 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -54.38 150.47 8.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 86.91 -11.3 65.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -84.53 118.92 24.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.05 125.79 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.53 HG23 ' CE2' ' A' ' 273' ' ' PHE . 49.6 mt -86.11 -44.59 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 311' ' ' VAL . 1.8 m -133.1 151.43 52.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.346 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 4.5 ttp180 -126.34 122.4 35.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.825 HG22 ' OG1' ' A' ' 310' ' ' THR . 3.0 tt -54.29 133.98 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 103.71 -47.93 1.05 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 55.4 mm-40 -65.63 138.1 96.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.557 0.798 . . . . 0.0 110.234 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -74.98 138.66 23.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 307' ' ' ARG . . . -88.41 141.55 16.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 301' ' ' LEU . 1.9 m-20 -142.38 30.26 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 0.728 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.731 ' C ' HD11 ' A' ' 301' ' ' LEU . 4.0 ptp180 -169.16 161.26 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.561 ' HB3' ' CE1' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -107.45 159.93 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 24.0 m-85 -136.06 144.8 45.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 12.8 m-85 -144.48 124.78 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 319' ' ' LEU . 50.0 t -74.46 129.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 229' ' ' LEU . 69.0 t -105.61 -43.39 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.77 137.3 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.849 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 102.56 -168.69 18.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 30.1 m -133.88 159.37 40.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 20.1 t -130.7 157.46 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.3 OUTLIER -126.39 132.21 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 52.8 t -79.34 143.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.748 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.65 95.0 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.76 176.58 1.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.09 -26.34 10.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.483 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 26.7 t30 -134.76 60.49 42.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.06 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.4 t -153.4 164.64 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.505 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.1 tt0 -98.14 119.58 37.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.1 mt -95.82 153.0 17.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -133.86 -172.7 12.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.63 21.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 98.39 17.02 30.29 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.42 158.11 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 2.6 p90 -131.37 146.19 52.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.598 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.0 OUTLIER -149.72 158.91 44.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.84 19.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.441 1.088 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.649 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -104.78 -21.37 13.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.559 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.8 OUTLIER -55.23 -38.38 68.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.744 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -73.18 -44.83 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.731 HD11 ' C ' ' A' ' 271' ' ' ARG . 90.7 mt -70.35 -13.1 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 345' ' ' ALA . 2.7 mt -86.46 -43.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.82 -54.69 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 133.83 -2.17 4.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -55.43 159.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.46 33.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.744 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -45.42 106.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.701 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.5 p -55.58 -23.83 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -165.37 160.24 17.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.825 ' OG1' HG22 ' A' ' 265' ' ' ILE . 15.9 m -84.79 135.03 34.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 263' ' ' CYS . 14.0 t -113.75 133.88 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 0.0 109.354 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.5 p -137.28 126.11 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.46 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -64.81 -34.09 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.873 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.6 t -146.56 -179.84 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.1 m -66.37 105.54 1.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.953 HG23 HD11 ' A' ' 319' ' ' LEU . 19.1 m -127.26 147.18 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.853 ' C ' HD13 ' A' ' 319' ' ' LEU . 1.2 t -102.13 119.12 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.953 HD11 HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -121.56 158.96 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 229' ' ' LEU . 1.3 mt -104.17 149.9 24.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 70.1 m -115.91 126.55 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.508 HD13 ' HG ' ' A' ' 251' ' ' LEU . 10.4 tp -117.65 138.93 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.394 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.94 151.7 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.625 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 90.0 p -67.38 -30.84 70.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.24 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 12.6 m-20 -75.18 -28.84 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.851 ' HA ' HD23 ' A' ' 330' ' ' LEU . 28.7 t80 -69.15 -38.25 78.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.47 -29.23 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -75.87 -35.78 59.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.74 -34.71 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.6 p -69.67 -30.25 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 2.4 t -73.19 -36.23 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.923 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -131.62 117.64 16.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.961 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.71 19.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.28 -31.47 58.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.923 HD12 ' CB ' ' A' ' 334' ' ' SER . 26.0 mt -70.4 -33.72 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.87 68.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 4.4 mt-10 -75.39 -32.01 60.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -32.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.9 OUTLIER -72.68 -45.14 60.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -64.22 -29.86 70.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.243 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.841 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.2 OUTLIER -69.85 -39.32 76.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.911 HG22 ' HD3' ' A' ' 348' ' ' ARG . 64.4 m -78.14 -32.82 50.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.916 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.08 -33.13 74.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 1.049 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.7 -38.51 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 44.4 mt-10 -74.44 -36.35 63.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.911 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.4 mpt_? -71.95 -45.27 61.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 45.1 ptt85 -69.4 -43.53 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 351' ' ' ALA . . . -162.0 -124.01 0.69 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 1.049 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 81.94 -67.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -50.92 163.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -40.31 -61.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.87 145.34 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 61.2 m 46.52 82.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -163.57 76.18 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.49 67.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.18 -40.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -54.37 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -87.42 59.14 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -110.3 -36.5 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -34.15 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.53 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 29.3 t80 -70.19 -31.47 68.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.28 -41.18 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 229' ' ' LEU . 0.7 OUTLIER -69.08 -34.46 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.8 ' O ' HG23 ' A' ' 230' ' ' VAL . 2.0 m-80 -70.91 -30.12 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -63.87 -48.84 75.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 4.3 pt20 -67.92 -31.59 71.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.542 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.4 mp -70.85 -41.25 71.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 226' ' ' ASN . 86.2 t -72.03 -26.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.65 63.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.32 -16.51 60.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 113.97 60.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.14 13.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -56.4 -42.25 77.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.5 ' CD1' HD23 ' A' ' 235' ' ' LEU . 23.1 m-85 -77.51 -15.52 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 244' ' ' LEU . 97.0 mm-40 -75.87 -16.97 59.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.693 ' HB2' HD11 ' A' ' 337' ' ' ILE . 2.6 mttm -79.96 1.3 27.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 330' ' ' LEU . 11.0 mt -100.99 150.54 22.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -58.33 -177.64 0.77 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.06 -41.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 110.961 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.97 -27.22 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 31.0 t -78.03 -48.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 244' ' ' LEU . 1.4 tt -64.19 -33.09 75.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 241' ' ' PRO . 4.1 t -73.77 -35.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -28.87 50.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.12 -32.41 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 244' ' ' LEU . 44.2 t -72.27 -41.61 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -77.62 -12.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -92.04 -37.55 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.4 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 1.018 HD13 HD12 ' A' ' 320' ' ' LEU . 4.7 pp -81.24 149.31 29.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . 0.443 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.3 OUTLIER -123.72 136.3 54.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 320' ' ' LEU . . . -81.84 125.15 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 130.43 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 318' ' ' SER . 7.3 m -98.21 139.44 33.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.861 HG21 HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -112.87 127.28 27.03 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.383 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.4 Cg_endo -75.03 153.27 41.49 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.54 1.81 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -49.89 131.85 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.25 -7.33 82.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.34 124.32 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.65 123.7 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 313' ' ' ALA . 13.8 mt -99.03 -35.37 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 32.6 m -132.85 152.98 51.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.59 114.07 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.639 HG22 ' OG1' ' A' ' 310' ' ' THR . 12.4 tt -53.05 137.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.56 -42.2 2.82 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.92 145.07 99.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 0.813 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 151.43 39.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -106.87 133.72 11.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.433 ' C ' HD21 ' A' ' 301' ' ' LEU . 75.1 m-20 -134.25 21.22 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.874 ' C ' HD11 ' A' ' 301' ' ' LEU . 2.0 ptm180 -164.12 154.85 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.851 ' HG2' HD12 ' A' ' 301' ' ' LEU . 4.0 mmm -104.17 162.5 13.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.575 ' CD2' ' CG2' ' A' ' 262' ' ' ILE . 40.9 m-85 -137.05 143.35 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 11.8 m-85 -141.67 124.91 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 292' ' ' PRO . 97.3 t -73.9 131.04 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.542 HG11 ' HG ' ' A' ' 229' ' ' LEU . 53.1 t -105.39 -51.38 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.51 131.77 20.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.673 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 110.04 -164.85 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 8.1 m -135.01 161.29 35.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 313' ' ' ALA . 5.1 t -131.06 158.6 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 280' ' ' VAL . 76.0 p -126.47 131.99 51.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.908 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.0 t -78.93 144.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.94 94.81 9.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.908 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.31 176.18 1.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.472 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.459 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.97 -25.74 11.65 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.488 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.1 t30 -134.92 60.37 40.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.98 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 24.4 t -153.3 164.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.0 tt0 -97.81 119.78 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 279' ' ' SER . 28.4 mt -95.32 153.15 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.33 -172.61 13.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.0 140.97 26.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.38 18.86 40.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.85 148.98 41.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.777 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.6 OUTLIER -121.9 146.16 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 273' ' ' PHE . 3.0 p90 -150.04 158.14 43.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 81.66 33.8 26.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.477 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.4 pm0 -103.36 -20.08 14.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 6.8 mtp -58.57 -39.21 79.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.556 ' HB3' HH21 ' A' ' 307' ' ' ARG . . . -72.14 -45.86 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.874 HD11 ' C ' ' A' ' 271' ' ' ARG . 81.8 mt -73.75 -9.92 59.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 345' ' ' ALA . 3.8 mt -85.79 -42.0 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.5 m -125.35 -53.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 136.88 -6.17 3.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.96 158.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.2 Cg_endo -74.96 150.39 38.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.556 HH21 ' HB3' ' A' ' 300' ' ' ALA . 2.2 mmp_? -34.23 118.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.693 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.4 p -64.31 -26.61 68.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -163.87 161.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.386 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.779 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 50.3 m -85.57 136.87 33.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.402 1.064 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.48 131.05 70.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -134.74 128.41 32.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.27 116.38 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.34 77.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.805 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 14.8 t -145.98 179.26 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.3 m -66.04 104.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.997 HG23 ' CD2' ' A' ' 319' ' ' LEU . 8.0 m -128.24 143.7 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 319' ' ' LEU . 5.9 t -92.09 131.01 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.997 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -134.66 165.2 25.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 1.018 HD12 HD13 ' A' ' 251' ' ' LEU . 4.2 mm? -108.59 153.49 23.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 251' ' ' LEU . 0.4 OUTLIER -117.09 131.46 56.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.163 . . . . 0.0 110.005 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.81 135.4 52.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -74.08 153.21 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.552 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 59.8 p -64.79 -32.7 74.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.79 -33.06 68.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.21 -29.05 60.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.773 ' HA ' HD23 ' A' ' 330' ' ' LEU . 58.4 t80 -71.44 -37.06 71.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.07 -30.97 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.7 ttp -77.74 -33.57 52.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.31 -36.2 61.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -32.36 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 108.229 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 4.3 p -73.72 -30.09 62.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 5.7 m -71.8 -37.27 70.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.891 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -126.94 116.54 22.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.85 13.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.04 -30.71 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.891 HD12 ' CB ' ' A' ' 334' ' ' SER . 81.5 mt -70.01 -34.24 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.88 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 23.0 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -32.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.2 m-85 -72.91 -44.95 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.0 -30.55 71.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.906 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.1 OUTLIER -68.93 -39.49 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.896 HG22 ' HD3' ' A' ' 348' ' ' ARG . 36.3 m -77.97 -32.48 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -65.49 -32.51 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.3 OUTLIER -71.41 -37.02 71.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.933 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 34.2 mt-10 -75.17 -37.92 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.896 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.9 OUTLIER -71.73 -41.9 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -69.98 -46.03 66.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 160.21 74.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -47.93 -41.16 24.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -49.1 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 59.01 161.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.214 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.06 103.59 9.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.602 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.74 144.37 34.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -151.44 111.49 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.77 84.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 218' ' ' VAL . 78.7 t -129.61 37.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 218' ' ' VAL . 0.0 OUTLIER 78.1 28.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.5 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 54.86 65.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.3 -45.0 1.03 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 226' ' ' ASN . 12.4 m-20 -74.15 -33.34 63.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 28.1 t80 -71.38 -30.63 66.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 220' ' ' ARG . 49.7 t -70.6 -41.62 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.49 -34.74 77.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 230' ' ' VAL . 3.2 m-20 -69.39 -30.77 68.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.521 ' CD1' ' CE1' ' A' ' 223' ' ' PHE . 0.0 OUTLIER -63.61 -43.89 95.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -32.93 65.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.739 ' HG ' HG11 ' A' ' 276' ' ' VAL . 1.7 mp -70.76 -35.03 72.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 226' ' ' ASN . 44.2 t -71.47 -27.43 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.04 -22.9 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -74.62 -18.91 60.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.34 113.72 58.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -24.1 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -56.02 -39.76 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 251' ' ' LEU . 13.9 m-85 -81.05 -15.06 57.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -79.27 -19.11 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.788 ' HB2' HD11 ' A' ' 337' ' ' ILE . 61.2 mttt -78.66 0.73 25.37 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 330' ' ' LEU . 29.7 mt -97.47 145.78 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.54 -179.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.7 46.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.465 HG21 ' OG ' ' A' ' 333' ' ' SER . 4.5 t -77.38 -46.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.973 ' O ' HG23 ' A' ' 248' ' ' VAL . 2.2 tp -63.9 -34.53 78.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 3.7 t -72.43 -35.51 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.8 -28.32 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -77.14 -34.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 244' ' ' LEU . 90.4 t -70.49 -28.75 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -74.44 -21.23 59.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 326' ' ' ASP . . . -98.98 -35.16 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 247' ' ' ILE . 34.7 mt -58.51 139.58 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.44 121.93 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.86 33.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.64 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -139.5 135.63 33.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 4.8 m -99.61 139.91 34.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.02 128.46 25.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.062 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.2 Cg_endo -75.09 155.85 42.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.861 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -53.14 140.48 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.08 -10.13 74.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.34 120.86 22.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 48.0 t -75.55 118.13 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 313' ' ' ALA . 51.5 mt -88.06 -46.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 9.4 m -136.5 141.53 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.223 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.4 tpt180 -125.51 128.79 48.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.598 HG22 ' OG1' ' A' ' 310' ' ' THR . 1.5 tt -54.66 131.98 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 107.05 -45.69 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -66.32 139.06 96.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 140.19 25.32 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.49 123.25 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.18 19.97 8.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.27 159.44 14.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.882 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.1 mmm -104.46 167.27 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 262' ' ' ILE . 57.0 m-85 -142.68 143.94 32.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 4.2 m-85 -145.07 124.8 13.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 292' ' ' PRO . 79.0 t -74.07 130.45 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.739 HG11 ' HG ' ' A' ' 229' ' ' LEU . 58.4 t -106.3 -44.12 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -146.66 131.53 18.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.708 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 106.31 -164.45 13.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 10.9 m -138.35 158.79 43.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.3 p -133.5 152.77 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 135.91 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.934 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.5 t -77.1 145.77 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.408 1.068 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.886 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 94.63 9.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.41 176.63 1.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.0 -25.76 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 5.4 t-20 -135.49 60.19 36.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.94 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.402 1.738 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 6.3 t -153.19 163.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 20.2 tt0 -101.42 116.8 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.769 ' HB2' HG13 ' A' ' 280' ' ' VAL . 23.4 mt -97.14 152.68 18.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -123.18 -168.74 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.682 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.0 132.28 15.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.54 23.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -111.72 157.49 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 344' ' ' THR . 3.0 p90 -132.8 145.28 50.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.655 ' HE1' HG23 ' A' ' 275' ' ' VAL . 15.1 p90 -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . 0.42 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 84.05 33.56 20.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.676 ' O ' HD12 ' A' ' 302' ' ' ILE . 1.5 pm0 -101.13 -20.37 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.57 78.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.73 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -71.14 -45.78 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.882 HD12 ' HG2' ' A' ' 272' ' ' MET . 14.1 mt -69.03 -15.41 63.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 5.5 mt -86.74 -43.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -57.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.02 -1.95 4.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.53 159.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.73 42.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -38.98 106.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.678 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.2 OUTLIER -57.52 -19.55 25.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.34 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.886 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 94.2 m -84.18 135.98 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.78 130.98 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 98.1 p -139.28 127.03 21.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.66 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.68 117.16 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.39 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.861 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.81 179.59 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.84 104.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.708 HG12 ' HA3' ' A' ' 278' ' ' GLY . 11.5 m -128.27 142.98 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.475 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -100.34 122.1 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -126.54 165.14 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 251' ' ' LEU . 0.1 OUTLIER -105.83 152.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 3.9 m -115.4 131.98 56.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 323' ' ' HIS . 8.0 tp -116.92 137.25 52.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.659 ' N ' HD12 ' A' ' 322' ' ' LEU . 1.8 t-80 -74.92 152.33 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 41.4 p -66.55 -38.02 86.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.69 -33.23 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 250' ' ' ALA . 0.3 OUTLIER -75.47 -29.74 59.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.703 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 25.1 t80 -71.18 -37.9 72.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -30.06 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.1 ttp -77.06 -35.38 56.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.59 -34.15 60.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.06 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.24 -31.21 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 108.329 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.2 p -73.38 -31.02 63.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 243' ' ' VAL . 2.5 t -69.79 -43.96 71.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.795 ' HB3' HD12 ' A' ' 337' ' ' ILE . 0.5 OUTLIER -119.95 118.94 31.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.87 16.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.11 -33.06 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' A' ' 334' ' ' SER . 65.5 mt -70.63 -33.66 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.86 -35.38 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tt0 -74.13 -32.12 63.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -31.58 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.703 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 1.2 m-85 -73.61 -44.39 57.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.1 OUTLIER -64.07 -29.49 70.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.781 ' HA ' HD23 ' A' ' 346' ' ' LEU . 3.2 mtpm? -73.88 -36.31 64.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.944 HG22 ' HD3' ' A' ' 348' ' ' ARG . 26.7 m -78.36 -32.09 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.95 -37.08 78.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.997 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.6 OUTLIER -71.44 -38.14 71.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.782 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 0.0 OUTLIER -73.28 -37.74 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.944 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.4 OUTLIER -71.58 -45.46 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.496 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 19.5 ptt180 -68.39 -42.99 78.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -158.36 -126.19 0.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.997 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . 66.73 20.81 10.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 351' ' ' ALA . . . 80.36 73.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -165.74 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 144.92 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.21 168.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 109.972 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -55.06 155.85 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.62 65.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 79.6 t -94.01 -47.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -47.68 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 224' ' ' VAL . 4.9 mmt-85 -78.09 58.8 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -106.96 -38.39 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.417 1.073 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -35.92 64.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -68.62 -30.97 69.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 220' ' ' ARG . 75.9 t -70.08 -43.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -67.12 -34.23 77.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.07 -30.84 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.479 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.24 -39.75 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.88 -33.51 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 276' ' ' VAL . 5.2 mp -68.92 -39.64 79.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 109.386 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 1.062 HG21 HG22 ' A' ' 248' ' ' VAL . 9.5 t -71.51 -26.83 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.369 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -72.78 -23.21 60.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.13 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 35.1 t -114.67 113.93 44.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.467 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.2 Cg_endo -74.95 -23.77 13.58 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.798 HD23 ' CE1' ' A' ' 236' ' ' PHE . 0.3 OUTLIER -60.23 -34.63 73.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.232 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.798 ' CE1' HD23 ' A' ' 235' ' ' LEU . 18.2 m-30 -82.48 -32.01 29.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.6 OUTLIER -81.08 -15.92 54.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.74 ' HB3' HD11 ' A' ' 337' ' ' ILE . 7.8 mttt -70.28 -8.37 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 330' ' ' LEU . 3.1 mt -96.12 161.58 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.33 178.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.05 49.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.52 -43.57 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -64.87 -32.75 74.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.377 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.84 -36.47 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 250' ' ' ALA . 1.9 mm-40 -78.06 -28.7 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 330' ' ' LEU . 1.2 tp -77.85 -29.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.062 HG22 HG21 ' A' ' 230' ' ' VAL . 53.5 t -73.74 -44.69 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -9.41 58.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 246' ' ' GLU . . . -93.94 -31.73 14.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.1 pp -84.35 149.86 25.75 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -128.69 124.47 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . 0.813 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.35 124.06 29.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.611 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.33 137.51 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 26.3 m -100.08 140.13 34.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.153 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.537 HG22 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -122.79 131.67 24.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.84 42.84 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.904 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -56.69 144.42 32.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.92 -7.08 82.42 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -83.74 120.47 26.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.38 113.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 313' ' ' ALA . 54.4 mt -82.71 -46.89 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.7 m -135.46 153.11 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.357 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.476 ' HA ' HG23 ' A' ' 310' ' ' THR . 0.1 OUTLIER -131.21 125.56 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 309' ' ' ALA . 4.2 tt -57.89 134.24 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 108.19 -46.31 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -77.96 140.22 62.16 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.67 39.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.408 ' HA3' ' NH2' ' A' ' 307' ' ' ARG . . . -113.78 133.48 11.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 301' ' ' LEU . 5.2 m-20 -123.72 20.38 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.42 ' CA ' HD11 ' A' ' 301' ' ' LEU . 1.7 tpp180 -147.59 151.94 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 274' ' ' PHE . 0.0 OUTLIER -100.54 160.62 14.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.993 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 53.4 m-85 -138.0 141.32 40.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 272' ' ' MET . 3.5 m-85 -141.51 124.99 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.581 HG23 ' HE1' ' A' ' 296' ' ' PHE . 61.3 t -75.36 126.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 229' ' ' LEU . 97.9 t -105.89 -43.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.78 130.86 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.808 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 104.8 -167.53 15.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.063 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.419 ' O ' HG11 ' A' ' 317' ' ' VAL . 12.4 m -133.97 161.98 33.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.56 0.8 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.27 158.44 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.0 132.22 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.896 HG12 ' CG2' ' A' ' 284' ' ' THR . 57.9 t -79.18 144.0 11.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.921 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.896 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.06 176.2 1.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.97 -25.94 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.9 m120 -135.02 60.43 40.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.581 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -74.97 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.2 t -153.33 164.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 15.0 tt0 -98.33 119.63 37.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 279' ' ' SER . 29.2 mt -95.52 151.82 18.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.58 -176.16 14.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.085 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.497 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.4 Cg_endo -74.95 127.6 10.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 110.6 14.57 12.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.69 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 1.4 p90 -126.66 145.73 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.581 ' HE1' HG23 ' A' ' 275' ' ' VAL . 1.2 p90 -150.24 157.39 43.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.63 24.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -106.62 -20.38 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.435 ' CE ' ' HD2' ' A' ' 349' ' ' ARG . 0.0 OUTLIER -56.62 -41.1 76.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -71.12 -44.99 64.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.22 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 270' ' ' ASP . 26.7 mt -68.81 -15.55 63.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 345' ' ' ALA . 10.6 mt -86.54 -43.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 26.2 p -119.28 -59.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.43 -6.57 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.06 159.27 4.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 158.58 42.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.516 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -37.91 102.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 0.0 110.284 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.732 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.3 OUTLIER -49.63 -22.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.892 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.01 159.54 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.921 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.7 m -81.33 135.82 35.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.48 130.76 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.3 p -137.06 126.66 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -67.74 116.58 8.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.618 1.199 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.904 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.1 -179.95 7.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.405 1.066 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.7 m -65.32 104.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.808 HG12 ' HA3' ' A' ' 278' ' ' GLY . 22.5 m -125.85 147.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.581 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -105.53 118.76 37.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -124.76 164.81 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 253' ' ' ALA . 0.9 OUTLIER -108.2 152.52 24.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 45.9 m -115.11 129.81 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 326' ' ' ASP . 4.1 tt -116.9 122.07 43.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.5 ' O ' HD23 ' A' ' 322' ' ' LEU . 3.4 t-80 -62.92 151.51 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 301' ' ' LEU . 21.0 p -68.57 -23.36 64.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.04 68.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB2' HD21 ' A' ' 322' ' ' LEU . 0.0 OUTLIER -75.97 -28.85 58.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.515 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 48.0 t80 -67.97 -35.93 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -29.91 62.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 38.7 ttp -75.93 -38.68 57.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 247' ' ' ILE . 3.9 pp -75.55 -31.84 60.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 338' ' ' ALA . 49.8 t -67.86 -44.59 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.349 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -28.45 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 47.6 t -66.54 -41.67 88.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.873 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -125.99 117.41 23.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 110.016 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -24.15 13.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.2 -35.7 61.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.873 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.3 mt -69.17 -31.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . 0.602 ' HB2' ' SG ' ' A' ' 331' ' ' CYS . . . -69.84 -30.89 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -75.34 -32.71 60.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -31.89 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 235' ' ' LEU . 2.2 m-85 -73.88 -45.79 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.771 ' HA ' HD23 ' A' ' 346' ' ' LEU . 2.9 mtpm? -68.58 -40.6 80.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 295' ' ' PHE . 6.0 m -77.52 -32.49 54.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.13 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.815 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -67.74 -38.38 83.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 343' ' ' LYS . 0.5 OUTLIER -71.52 -40.67 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.993 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 1.1 mm-40 -65.89 -44.78 84.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 344' ' ' THR . 1.9 mpt_? -71.84 -35.89 70.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.435 ' HD2' ' CE ' ' A' ' 299' ' ' MET . 49.1 ttt85 -70.12 -45.57 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 162.04 78.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.993 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -63.53 -32.07 73.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -105.39 126.04 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 63.71 98.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 30.3 t -176.0 88.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.596 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.7 m -125.98 160.93 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -171.09 124.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.65 60.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.7 p -75.1 -36.23 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.39 56.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 43.22 60.36 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -77.31 -31.27 52.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.4 -41.56 47.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.49 -35.47 80.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 220' ' ' ARG . 30.4 t -70.88 -39.35 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 230' ' ' VAL . 1.0 OUTLIER -69.21 -31.99 70.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.28 -43.51 94.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 107.983 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.04 -33.03 69.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.56 ' HB3' HD11 ' A' ' 320' ' ' LEU . 1.1 mp -69.46 -39.41 77.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 244' ' ' LEU . 59.0 t -71.79 -26.09 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.08 -22.62 63.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.98 60.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 23.8 t -118.51 114.99 35.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.493 ' HA ' ' NE2' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -75.05 -22.51 14.65 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 341' ' ' PHE . 0.2 OUTLIER -59.93 -36.16 76.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.445 ' CB ' HG13 ' A' ' 230' ' ' VAL . 17.5 m-85 -82.69 -31.69 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 234' ' ' PRO . 0.5 OUTLIER -80.29 -14.83 58.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.541 ' CB ' HD11 ' A' ' 337' ' ' ILE . 6.3 mttt -69.73 -8.28 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 330' ' ' LEU . 2.2 mt -90.8 168.88 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -64.07 -177.75 5.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.5 Cg_endo -74.97 -40.05 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.28 -25.56 51.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.612 HG21 ' OG ' ' A' ' 333' ' ' SER . 23.7 t -77.5 -44.99 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 230' ' ' VAL . 0.3 OUTLIER -64.0 -34.33 77.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 241' ' ' PRO . 45.9 t -73.81 -34.51 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.82 -28.13 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.61 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -78.9 -32.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 244' ' ' LEU . 25.4 t -72.12 -28.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -75.31 -21.79 58.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . . . . . . . . . . . -100.52 -32.45 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 247' ' ' ILE . 4.4 mt -59.67 137.74 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 122.87 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.06 124.83 30.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.01 126.6 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 23.8 m -98.28 140.06 33.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.706 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.84 130.77 24.33 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.04 154.28 42.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.841 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.0 132.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 92.07 -6.84 79.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -77.5 119.39 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.28 119.28 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 313' ' ' ALA . 30.3 mt -92.47 -43.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 2.4 m -132.83 140.08 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -120.07 120.1 35.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.7 tt -54.75 145.93 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 88.55 -42.02 3.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.35 141.11 88.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.75 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 140.73 25.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.95 140.51 15.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.72 17.45 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.607 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -160.6 152.63 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -100.76 161.13 13.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 111.056 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.637 ' CE2' HG23 ' A' ' 262' ' ' ILE . 50.7 m-85 -138.83 143.8 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 5.4 m-85 -144.12 124.49 13.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.684 HG23 ' HE1' ' A' ' 296' ' ' PHE . 84.7 t -72.59 131.02 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.18 -48.4 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.38 131.51 17.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.717 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.13 -166.44 12.28 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . . . . . . . . . 20.9 m -133.22 159.32 40.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 0.734 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 313' ' ' ALA . 11.5 t -131.3 157.14 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.446 ' HB2' ' HB2' ' A' ' 314' ' ' ALA . 0.5 OUTLIER -126.46 132.39 51.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.959 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.9 t -79.37 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.754 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.72 95.03 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.0 176.42 1.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.453 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.98 -26.26 11.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 3.7 m120 -134.95 60.59 41.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.569 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.3 Cg_endo -75.02 -163.74 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 17.4 t -153.32 164.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.493 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 14.7 tt0 -98.04 119.75 37.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 37.1 mt -95.39 152.28 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -127.56 -173.12 13.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.652 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.2 Cg_endo -75.03 141.26 26.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.12 19.7 38.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -117.23 157.21 26.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 344' ' ' THR . 2.8 p90 -132.52 145.71 51.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.684 ' HE1' HG23 ' A' ' 275' ' ' VAL . 17.8 p90 -149.85 159.12 44.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 80.77 33.76 29.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 302' ' ' ILE . 0.7 OUTLIER -98.83 -20.4 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.483 ' HG3' ' CB ' ' A' ' 345' ' ' ALA . 1.9 mtp -62.79 -37.41 86.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 304' ' ' GLY . . . -68.97 -46.12 68.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 272' ' ' MET . 58.4 mt -74.73 -10.07 59.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.908 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -86.4 -44.2 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.367 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 3.2 m -125.54 -53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 300' ' ' ALA . . . 133.97 -1.11 4.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 158.09 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.432 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -40.2 105.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.734 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.6 p -50.48 -24.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.066 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.896 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.34 160.19 20.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.817 ' OG1' HG22 ' A' ' 265' ' ' ILE . 29.4 m -83.31 135.45 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.24 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 24.4 p -137.52 128.61 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.769 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.0 116.3 8.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 281' ' ' SER . . . -62.01 -34.86 76.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.841 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -146.61 179.45 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.5 m -65.92 104.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.409 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.986 HG23 ' CD2' ' A' ' 319' ' ' LEU . 10.5 m -128.85 142.45 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 319' ' ' LEU . 4.3 t -91.41 128.99 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.986 ' CD2' HG23 ' A' ' 317' ' ' VAL . 0.0 OUTLIER -130.72 165.25 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 229' ' ' LEU . 6.0 mt -109.34 153.48 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 251' ' ' LEU . 0.6 OUTLIER -117.72 130.7 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 326' ' ' ASP . 11.5 tp -121.41 136.85 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 153.31 40.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.533 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.624 ' HA ' HD22 ' A' ' 301' ' ' LEU . 47.9 p -65.01 -36.8 85.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.941 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.7 -33.03 68.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.577 ' HB3' HD11 ' A' ' 322' ' ' LEU . 0.2 OUTLIER -74.9 -28.57 60.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.763 ' HA ' HD23 ' A' ' 330' ' ' LEU . 67.4 t80 -70.24 -40.42 74.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -29.68 61.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.425 ' SD ' HG13 ' A' ' 243' ' ' VAL . 9.3 tmm? -75.18 -35.07 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.4 OUTLIER -75.7 -34.76 60.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 5.7 p -71.23 -31.68 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 6.6 p -73.9 -29.45 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . 0.612 ' OG ' HG21 ' A' ' 243' ' ' VAL . 0.5 OUTLIER -67.95 -42.15 81.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.705 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.1 OUTLIER -126.29 123.85 24.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -18.87 18.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.07 -33.69 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' A' ' 334' ' ' SER . 27.6 mt -69.48 -33.06 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.13 68.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 2.3 mt-10 -75.16 -31.9 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -32.02 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 3.4 m-85 -75.01 -45.19 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -65.43 -30.17 70.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 1.9 mtpp -76.75 -34.68 58.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.667 HG21 ' CE2' ' A' ' 295' ' ' PHE . 13.9 m -80.12 -31.66 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.908 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -45.86 77.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 347' ' ' GLU . 4.2 pp -65.62 -41.36 92.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.874 ' HA ' ' HB2' ' A' ' 351' ' ' ALA . 2.3 mt-10 -66.27 -36.14 82.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.59 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -72.41 -44.82 61.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.298 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -68.91 -44.92 72.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . . . . . . . . . . . 156.46 87.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.555 1.16 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 347' ' ' GLU . . . -72.6 64.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.25 71.72 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -176.06 79.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.62 155.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.598 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.79 163.9 25.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.781 . . . . 0.0 110.062 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 64.43 125.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.69 60.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 60.4 t -85.66 -53.55 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -47.31 13.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.0 OUTLIER 53.97 58.71 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -107.63 -40.87 1.67 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.47 -34.82 60.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 36.1 t80 -70.24 -31.77 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 220' ' ' ARG . 49.2 t -72.52 -41.43 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -34.73 74.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 230' ' ' VAL . 2.2 m-80 -70.89 -30.53 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.08 -48.37 76.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 108.036 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 229' ' ' LEU . 7.7 pt20 -69.88 -30.68 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 276' ' ' VAL . 1.1 mp -71.86 -40.29 69.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.659 HG21 HG22 ' A' ' 248' ' ' VAL . 55.6 t -72.01 -26.48 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.36 -22.82 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.58 59.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 97.2 t -105.93 114.4 62.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.82 13.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -56.28 -39.98 73.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -80.72 -15.42 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' A' ' 244' ' ' LEU . 95.4 mm-40 -74.01 -17.21 61.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.429 ' HB2' HD11 ' A' ' 337' ' ' ILE . 7.7 mttt -82.19 1.21 37.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 243' ' ' VAL . 31.3 mt -99.64 145.49 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -55.52 -174.54 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.424 1.078 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.488 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.69 -26.98 50.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 57.9 t -77.49 -47.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.0 OUTLIER -64.68 -32.69 74.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -73.89 -35.25 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -28.37 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 251' ' ' LEU . 1.3 tp -76.68 -33.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 244' ' ' LEU . 54.1 t -73.04 -28.58 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.745 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -100.45 -34.43 9.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 247' ' ' ILE . 2.3 mt -63.79 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 121.95 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.16 123.6 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.596 ' O ' HD22 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.18 135.69 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 77.9 m -98.72 140.01 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.603 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.91 127.56 25.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.62 1.2 . . . . 0.0 109.236 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.3 Cg_endo -75.02 153.82 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.806 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.57 139.16 16.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.21 -11.49 71.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . . . . . . . . . . . -77.47 120.2 22.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.88 122.59 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 313' ' ' ALA . 49.9 mt -91.59 -44.26 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 5.9 m -134.04 147.5 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -126.0 122.07 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.782 HG22 ' OG1' ' A' ' 310' ' ' THR . 5.6 tt -56.61 144.46 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 93.54 -43.98 2.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.7 145.21 96.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.34 31.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -98.1 133.95 11.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -139.23 22.86 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.502 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -163.85 154.79 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.654 ' HG2' HD12 ' A' ' 301' ' ' LEU . 6.8 mmm -106.01 161.34 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.613 ' CE2' HG23 ' A' ' 262' ' ' ILE . 25.5 m-85 -134.07 140.84 46.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 44.2 m-85 -138.33 124.65 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.675 HG23 ' HE1' ' A' ' 296' ' ' PHE . 76.4 t -79.26 131.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 229' ' ' LEU . 87.0 t -106.06 -42.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.51 133.83 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.844 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 107.52 -171.67 16.74 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 36.8 m -131.96 155.92 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.805 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.5 p -133.52 150.94 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.97 135.53 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.895 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.7 t -75.61 145.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.726 ' C ' HG22 ' A' ' 284' ' ' THR . . . -89.98 94.3 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.895 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.2 176.9 1.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.453 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.05 -26.79 10.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.4 m120 -134.86 60.39 40.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.595 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.1 Cg_endo -75.05 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 2.4 t -150.55 163.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.503 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 22.0 tt0 -101.78 116.89 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.805 ' HB2' HG13 ' A' ' 280' ' ' VAL . 32.2 mt -101.27 152.31 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.25 -162.95 11.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.607 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.49 20.04 39.29 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.483 1.114 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.07 148.8 42.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -129.38 145.67 51.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.675 ' HE1' HG23 ' A' ' 275' ' ' VAL . 14.2 p90 -150.04 161.55 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . 0.407 ' C ' ' SD ' ' A' ' 272' ' ' MET . . . 86.12 33.71 14.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 302' ' ' ILE . 1.7 pm0 -102.26 -20.82 14.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 0.787 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.538 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 4.6 mmm -56.31 -37.79 70.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.17 50.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.654 HD12 ' HG2' ' A' ' 272' ' ' MET . 12.3 mt -77.88 -9.14 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.663 HD11 ' HB3' ' A' ' 341' ' ' PHE . 3.6 mt -83.73 -47.63 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.33 -60.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . 142.59 39.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 160.1 34.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.243 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.97 148.37 35.32 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.479 1.779 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.431 ' NH2' ' O2P' ' A' ' 370' ' ' CMP . 0.0 OUTLIER -35.63 102.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.433 ' N ' H5'1 ' A' ' 370' ' ' CMP . 1.1 m -51.07 -21.36 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.88 159.97 18.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 265' ' ' ILE . 37.6 m -85.17 136.24 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 296' ' ' PHE . 91.8 t -114.84 131.19 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 59.8 p -138.31 127.6 24.47 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.61 117.05 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.598 1.186 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.15 79.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.806 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.5 t -145.84 179.93 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 4.5 m -65.6 105.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.844 HG12 ' HA3' ' A' ' 278' ' ' GLY . 16.3 m -128.36 143.84 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.4 OUTLIER -101.28 118.92 37.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.462 1.102 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.822 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -125.79 165.62 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 1.2 mp -107.58 145.83 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . 0.431 ' O ' HD23 ' A' ' 251' ' ' LEU . 13.1 p -106.84 138.46 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 330' ' ' LEU . 38.0 tp -123.03 142.57 50.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -85.57 153.77 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.639 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 301' ' ' LEU . 43.1 t -64.19 -36.24 83.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.33 67.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.745 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 74.3 m-20 -75.48 -29.92 59.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.59 ' CE2' ' CE2' ' A' ' 341' ' ' PHE . 27.4 t80 -78.24 -32.3 49.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -72.47 -34.44 67.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 326' ' ' ASP . 15.6 ptm -77.36 -32.05 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 330' ' ' LEU . 0.4 OUTLIER -75.55 -36.94 60.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 -33.39 70.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 108.365 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 7.8 p -73.47 -29.12 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.2 t -69.06 -32.37 71.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.39 119.24 5.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.46 18.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -37.08 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 235' ' ' LEU . 63.5 mt -67.42 -36.39 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.092 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.62 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 3.9 tt0 -75.48 -31.69 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . 0.407 ' CG2' HD21 ' A' ' 235' ' ' LEU . 0.1 OUTLIER -73.54 -32.35 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.663 ' HB3' HD11 ' A' ' 302' ' ' ILE . 1.3 m-85 -71.41 -41.23 69.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.99 -29.34 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.857 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.1 mmmp? -68.68 -42.93 77.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.659 HG22 ' HD3' ' A' ' 348' ' ' ARG . 18.9 m -78.17 -32.82 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.544 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.56 -32.99 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.365 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.908 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.3 OUTLIER -72.07 -37.2 69.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.949 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 2.0 tt0 -75.09 -37.13 61.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.659 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.0 OUTLIER -72.53 -45.14 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.198 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.486 ' HB3' ' CE ' ' A' ' 299' ' ' MET . 0.0 OUTLIER -69.7 -39.58 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.241 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.435 ' N ' ' CD ' ' A' ' 349' ' ' ARG . . . -154.37 -122.85 0.86 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.949 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 45.96 31.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -147.13 -60.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -147.47 105.98 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 20.8 p -105.51 158.32 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.053 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.623 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 12.7 m -66.08 150.03 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.7 84.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -156.95 61.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 69.7 t -83.41 -54.46 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.73 44.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 mpt_? 48.05 58.94 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -69.68 -37.43 76.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.58 -39.01 64.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.529 ' CE2' ' CD1' ' A' ' 227' ' ' TRP . 61.0 t80 -65.69 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' ARG . 94.9 t -70.65 -44.16 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -34.6 77.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 230' ' ' VAL . 16.2 m-20 -69.94 -31.76 69.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.595 ' CZ3' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -64.43 -43.21 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 107.998 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.13 -33.97 74.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 320' ' ' LEU . 3.2 mp -69.78 -43.84 71.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 226' ' ' ASN . 95.3 t -72.01 -26.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -71.57 -22.31 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.34 59.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 27.6 t -110.19 113.84 56.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.418 ' HA ' ' CG ' ' A' ' 237' ' ' GLN . 18.3 Cg_endo -74.96 -23.77 13.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 337' ' ' ILE . 0.3 OUTLIER -55.94 -39.36 71.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -78.73 -18.81 53.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 244' ' ' LEU . 93.3 mm-40 -73.27 -16.55 61.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.773 ' HB2' HD11 ' A' ' 337' ' ' ILE . 1.4 mttm -78.37 0.72 24.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.591 1.182 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 330' ' ' LEU . 17.8 mt -102.7 145.08 30.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.204 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 239' ' ' LEU . . . -49.95 -177.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.3 Cg_endo -75.01 -39.28 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.65 49.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 239' ' ' LEU . 29.7 t -77.84 -45.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 248' ' ' VAL . 0.4 OUTLIER -63.36 -32.89 74.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 241' ' ' PRO . 23.0 t -74.98 -35.08 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.28 -30.03 48.24 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 330' ' ' LEU . 1.2 tp -78.38 -30.93 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.908 ' HA ' HD12 ' A' ' 251' ' ' LEU . 39.1 t -72.69 -34.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.64 -8.65 59.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.892 ' HB1' ' OD1' ' A' ' 326' ' ' ASP . . . -101.97 -38.63 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.996 HD13 ' O ' ' A' ' 251' ' ' LEU . 0.0 OUTLIER -81.01 146.77 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . 0.786 ' N ' HD22 ' A' ' 251' ' ' LEU . 0.8 OUTLIER -135.25 135.21 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -84.03 124.41 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.715 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -138.55 136.45 36.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 32.2 m -99.03 139.98 33.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.891 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -116.55 130.43 24.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.3 Cg_endo -74.94 153.71 42.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.847 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.3 137.49 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 87.87 -7.38 81.42 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.79 119.84 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 69.1 t -74.63 118.96 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.865 HG23 ' CE2' ' A' ' 273' ' ' PHE . 67.3 mt -93.44 -45.27 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 262' ' ' ILE . 4.5 m -135.63 138.63 43.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 108.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 267' ' ' GLU . 3.0 ttt180 -121.15 122.48 40.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.764 HG22 ' OG1' ' A' ' 310' ' ' THR . 2.2 tt -53.9 133.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 104.21 -43.27 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -67.56 145.0 98.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 267' ' ' GLU . 18.5 Cg_endo -75.03 136.17 19.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.67 114.63 4.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.442 ' C ' HD21 ' A' ' 301' ' ' LEU . 22.5 p-10 -124.92 35.32 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.618 ' CA ' HD11 ' A' ' 301' ' ' LEU . 12.9 ptt180 -173.74 156.17 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.668 ' HG2' HD12 ' A' ' 301' ' ' LEU . 5.1 mmm -104.82 167.19 9.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 262' ' ' ILE . 27.9 m-85 -143.27 139.58 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.773 ' HB2' HD12 ' A' ' 320' ' ' LEU . 7.5 m-85 -139.64 124.6 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.638 HG23 ' HE1' ' A' ' 296' ' ' PHE . 40.8 t -72.85 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.477 HG11 ' HG ' ' A' ' 229' ' ' LEU . 92.9 t -104.29 -46.83 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 317' ' ' VAL . 6.9 tt0 -154.84 131.95 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.412 1.07 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.646 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 113.89 -171.97 14.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 317' ' ' VAL . 48.4 m -128.53 154.33 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.896 HG13 ' HB2' ' A' ' 290' ' ' LEU . 1.2 p -134.19 154.9 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.71 136.19 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 59.0 t -78.74 145.86 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.28 94.2 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.7 176.61 1.14 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.0 Cg_endo -75.15 -25.93 11.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 14.0 m-80 -134.99 60.25 39.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.03 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 4.1 t -153.83 164.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.495 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.7 tt0 -100.62 115.19 29.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.896 ' HB2' HG13 ' A' ' 280' ' ' VAL . 18.8 mt -98.12 152.06 19.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -128.03 -164.53 11.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 92.88 17.5 43.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.576 1.172 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -119.03 143.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.796 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.473 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 1.0 OUTLIER -119.55 145.58 46.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' A' ' 275' ' ' VAL . 0.8 OUTLIER -150.15 158.29 44.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.11 33.5 17.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.32 -21.0 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.446 ' SD ' ' HB1' ' A' ' 345' ' ' ALA . 0.4 OUTLIER -57.26 -38.03 73.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -77.06 -43.29 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.668 HD12 ' HG2' ' A' ' 272' ' ' MET . 13.9 mt -71.8 -9.5 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.731 ' CD1' ' HB2' ' A' ' 345' ' ' ALA . 10.2 mt -85.85 -44.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 46.9 m -126.45 -51.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.915 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 129.63 30.03 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.68 161.12 57.13 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 150.74 38.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 263' ' ' CYS . 0.0 OUTLIER -38.2 106.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.756 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.4 p -54.96 -22.67 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -164.51 160.35 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.375 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 51.7 m -83.6 136.44 34.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 53.9 t -117.19 130.73 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 93.0 p -141.04 129.2 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -71.12 119.79 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.0 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.847 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 13.1 t -146.6 -179.65 6.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 3.9 m -66.49 104.93 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.646 HG12 ' HA3' ' A' ' 278' ' ' GLY . 5.4 m -129.72 142.1 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 40.4 m -89.16 128.35 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 256' ' ' VAL . 0.5 OUTLIER -130.89 166.12 21.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 274' ' ' PHE . 0.3 OUTLIER -109.16 152.98 24.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.67 139.64 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 330' ' ' LEU . 3.2 tp -134.71 133.11 39.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.746 ' CD2' ' HB3' ' A' ' 325' ' ' ALA . 39.7 t60 -72.04 154.89 40.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 54.6 p -63.72 -35.63 81.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.746 ' HB3' ' CD2' ' A' ' 323' ' ' HIS . . . -71.41 -32.35 68.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.892 ' OD1' ' HB1' ' A' ' 250' ' ' ALA . 26.6 m-20 -73.83 -28.74 61.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.687 ' CE2' ' CZ ' ' A' ' 341' ' ' PHE . 40.3 t80 -78.25 -35.99 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . 0.4 ' HA ' ' SG ' ' A' ' 331' ' ' CYS . 9.8 mt-30 -74.34 -32.19 62.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 330' ' ' LEU . 1.1 ptt? -77.26 -35.56 55.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.62 -33.96 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 328' ' ' GLN . 7.0 p -71.02 -32.19 68.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 108.325 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.41 -32.57 64.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 40.8 t -67.37 -42.81 82.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.78 ' HB3' HD12 ' A' ' 337' ' ' ILE . 1.1 t -122.05 118.59 29.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.15 18.21 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -33.53 58.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.78 HD12 ' HB3' ' A' ' 334' ' ' SER . 69.1 mt -70.12 -34.3 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.37 71.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.38 -37.52 60.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -32.77 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.687 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 3.8 m-85 -72.62 -42.96 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -65.29 -32.57 74.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.802 ' HA ' HD23 ' A' ' 346' ' ' LEU . 0.8 OUTLIER -68.87 -38.67 79.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.213 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.885 HG22 ' HD3' ' A' ' 348' ' ' ARG . 24.1 m -77.59 -32.13 53.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.731 ' HB2' ' CD1' ' A' ' 302' ' ' ILE . . . -65.64 -32.23 73.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.55 -40.45 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.834 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 17.8 mt-10 -71.23 -40.17 71.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -70.86 -41.74 71.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -70.18 -44.97 67.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 351' ' ' ALA . . . 171.66 119.9 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.834 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 179.6 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -116.39 106.99 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 15.6 t -62.24 -58.43 7.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 80.1 p -60.79 105.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 64.97 110.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.88 58.16 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 9.8 t -79.4 -42.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 219' ' ' ARG . 0.1 OUTLIER -173.8 35.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.17 63.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -79.46 -29.73 47.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.68 -36.34 51.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -67.79 -33.68 75.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . . . . . . . . . 7.6 t -68.35 -40.47 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.6 ' O ' HD13 ' A' ' 229' ' ' LEU . 9.5 ttp180 -67.19 -34.62 77.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 230' ' ' VAL . 1.6 t30 -68.06 -30.82 70.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -41.13 98.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.073 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -32.08 63.66 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.09 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.839 ' HB3' HD11 ' A' ' 320' ' ' LEU . 8.2 mp -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.826 HG21 HG22 ' A' ' 248' ' ' VAL . 42.7 t -71.41 -26.96 27.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -74.23 -22.7 59.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -76.88 -14.31 59.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 18.0 t -114.67 113.52 44.95 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.64 13.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -42.28 75.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.94 -13.52 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -79.6 -17.57 53.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 337' ' ' ILE . 4.9 mttm -78.03 0.02 26.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.371 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 330' ' ' LEU . 20.1 mt -97.79 146.38 25.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -49.17 179.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -41.61 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.39 -24.68 46.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.48 -46.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 248' ' ' VAL . 1.5 tp -63.66 -33.53 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 4.2 t -73.7 -34.74 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.48 -28.91 46.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 251' ' ' LEU . 1.2 tp -76.55 -32.28 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 244' ' ' LEU . 73.2 t -73.05 -30.97 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -77.18 -15.78 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.811 ' HB1' ' OD2' ' A' ' 326' ' ' ASP . . . -101.22 -32.68 10.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.763 ' HG ' HD13 ' A' ' 322' ' ' LEU . 7.2 mt -62.45 138.83 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 123.92 30.0 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -82.12 124.79 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.1 OUTLIER -139.5 129.5 25.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 14.2 m -98.61 139.81 33.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -117.0 129.21 25.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.2 Cg_endo -75.07 153.8 41.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.43 135.31 22.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 89.79 -6.84 82.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -75.95 119.49 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 80.9 t -75.97 112.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' A' ' 313' ' ' ALA . 17.3 mt -84.56 -44.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.96 143.76 40.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 108.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 307' ' ' ARG . 2.1 ttm180 -126.29 126.38 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 309' ' ' ALA . 3.6 tt -54.28 137.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 101.27 -47.09 1.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 268' ' ' PRO . 9.6 mm-40 -69.14 138.66 89.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 267' ' ' GLU . 18.2 Cg_endo -74.96 147.59 34.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -102.87 142.55 15.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.83 19.18 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.522 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -158.12 160.83 37.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.632 ' HE1' ' HB2' ' A' ' 295' ' ' PHE . 4.8 mmm -105.32 168.88 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 296' ' ' PHE . 42.1 m-85 -144.67 137.87 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 2.7 m-85 -138.73 124.22 19.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.688 HG23 ' HE1' ' A' ' 296' ' ' PHE . 88.4 t -71.06 132.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.48 HG11 ' HG ' ' A' ' 229' ' ' LEU . 65.1 t -105.43 -44.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -154.79 131.78 10.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.677 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 112.78 -169.85 13.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 290' ' ' LEU . 45.5 m -131.37 154.64 48.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.83 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.2 p -133.88 154.57 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.8 m -123.98 135.86 53.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.892 HG12 ' CG2' ' A' ' 284' ' ' THR . 58.8 t -78.59 145.95 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.49 94.55 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.892 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.8 176.52 1.14 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.02 -25.6 11.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.437 1.756 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 23.5 t30 -135.67 60.5 36.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.575 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.5 Cg_endo -74.97 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.572 1.827 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 287' ' ' PRO . 6.3 t -153.49 163.76 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 19.5 tt0 -101.0 114.97 29.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.83 ' HB2' HG13 ' A' ' 280' ' ' VAL . 25.6 mt -99.26 151.41 21.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.0 11.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.5 Cg_endo -74.97 136.94 21.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 96.72 16.09 37.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.78 143.36 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.606 0.827 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.632 ' HB2' ' HE1' ' A' ' 272' ' ' MET . 0.3 OUTLIER -119.55 145.36 46.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.688 ' HE1' HG23 ' A' ' 275' ' ' VAL . 4.1 p90 -150.28 157.13 42.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 85.35 33.3 17.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 302' ' ' ILE . 0.8 OUTLIER -101.58 -20.15 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.242 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.472 ' HG2' ' HB1' ' A' ' 345' ' ' ALA . 0.3 OUTLIER -55.86 -39.83 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.712 ' HB2' HH12 ' A' ' 307' ' ' ARG . . . -72.84 -46.23 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.594 HD12 ' HG2' ' A' ' 272' ' ' MET . 29.3 mt -68.25 -17.26 64.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 345' ' ' ALA . 22.1 mt -86.22 -44.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.68 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 134.71 -3.38 4.22 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.412 1.07 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.65 159.78 4.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -75.0 154.83 42.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.712 HH12 ' HB2' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -36.43 105.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.651 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 0.0 OUTLIER -56.6 -18.7 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -165.56 160.32 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.856 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 53.2 m -84.28 136.11 34.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 38.0 t -117.56 130.43 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 78.3 p -141.36 127.34 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -69.75 119.21 13.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.8 78.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.856 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.0 t -146.67 179.53 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 5.2 m -66.16 104.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.677 HG12 ' HA3' ' A' ' 278' ' ' GLY . 6.0 m -129.28 141.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . . . . . . . . . 8.3 m -91.35 128.51 37.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -131.39 165.3 23.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 229' ' ' LEU . 3.1 mt -105.06 153.61 21.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.93 135.49 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.763 HD13 ' HG ' ' A' ' 251' ' ' LEU . 14.2 tp -128.34 138.98 52.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.31 153.88 31.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.479 ' HA ' HD22 ' A' ' 301' ' ' LEU . 53.5 p -64.04 -30.88 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.61 69.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.811 ' OD2' ' HB1' ' A' ' 250' ' ' ALA . 0.4 OUTLIER -75.25 -31.74 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 341' ' ' PHE . 54.7 t80 -71.35 -37.61 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -73.85 -30.44 62.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.5 ttp -77.82 -37.35 48.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.659 ' CD2' HD21 ' A' ' 322' ' ' LEU . 0.8 OUTLIER -75.41 -33.05 60.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 28.1 m -71.16 -38.71 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.1 t -73.5 -28.87 62.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 30.3 m -67.59 -31.87 72.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.02 120.67 10.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -13.69 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -39.96 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 238' ' ' LYS . 71.3 mt -66.96 -34.6 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -69.5 -32.7 71.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 342' ' ' ARG . 1.1 tp10 -75.44 -32.1 60.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -32.3 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 327' ' ' PHE . 5.6 m-85 -73.45 -44.15 58.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.0 OUTLIER -66.57 -29.44 69.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.563 ' HA ' HD23 ' A' ' 346' ' ' LEU . 1.9 mptt -70.73 -38.44 73.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.912 HG22 ' HD3' ' A' ' 348' ' ' ARG . 31.2 m -78.37 -32.31 48.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -68.53 -39.44 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.974 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.7 OUTLIER -71.62 -37.09 70.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 16.1 mt-10 -72.71 -37.42 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.912 ' HD3' HG22 ' A' ' 344' ' ' THR . 1.7 mpt_? -73.38 -45.55 54.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 346' ' ' LEU . 0.0 OUTLIER -68.57 -37.7 80.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 346' ' ' LEU . . . 159.78 123.55 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.974 ' HB2' HD12 ' A' ' 346' ' ' LEU . . . -168.85 -61.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.252 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -162.58 49.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.69 144.95 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.36 -62.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.626 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 92.5 p -39.68 121.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -136.72 -72.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.43 49.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.4 -19.97 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.75 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER 46.65 65.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.189 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.89 -32.59 2.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.27 -37.66 52.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 220' ' ' ARG . 98.6 t -68.5 -42.85 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -68.06 -34.7 76.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . 0.609 ' HB3' HG22 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -68.88 -29.96 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.516 ' HA ' ' CE3' ' A' ' 227' ' ' TRP . 0.0 OUTLIER -63.28 -48.39 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -72.06 -30.87 65.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 320' ' ' LEU . 1.4 mp -72.35 -40.0 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 1.017 ' CG2' HG23 ' A' ' 248' ' ' VAL . 2.8 t -71.49 -26.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -69.53 -22.65 63.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -83.7 -13.56 53.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.63 114.23 59.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -23.99 13.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.554 1.818 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -55.98 -41.93 75.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 251' ' ' LEU . 21.0 m-85 -79.73 -15.12 58.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -79.09 -19.29 51.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.762 ' HB2' HD11 ' A' ' 337' ' ' ILE . 15.3 mttm -79.62 1.28 26.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 330' ' ' LEU . 12.0 mt -99.96 149.11 23.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -41.83 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.424 1.75 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.08 -25.42 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 2.7 t -77.58 -44.58 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 0.657 ' CD1' HG11 ' A' ' 230' ' ' VAL . 4.0 tp -64.56 -33.85 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . . . . . . . . . 11.2 t -73.24 -34.76 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -77.98 -27.97 49.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 251' ' ' LEU . 1.1 tp -77.25 -38.4 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.017 HG23 ' CG2' ' A' ' 230' ' ' VAL . 0.4 OUTLIER -73.12 -29.17 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -17.34 58.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.563 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -99.65 -37.06 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.593 HD11 ' CZ ' ' A' ' 236' ' ' PHE . 5.9 mt -54.79 138.77 41.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 252' ' ' ARG . 0.2 OUTLIER -126.71 122.88 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . . . . . . . . . . . -81.94 125.44 30.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.73 ' O ' HD22 ' A' ' 319' ' ' LEU . 5.5 ttm180 -139.49 132.62 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . . . . . . . . . 90.6 m -99.47 139.71 34.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.781 ' CG2' HD11 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -121.39 128.25 25.76 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 256' ' ' VAL . 18.6 Cg_endo -75.06 153.91 41.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.96 133.89 26.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 91.79 -9.85 75.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -74.29 121.01 20.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.2 120.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 313' ' ' ALA . 23.2 mt -97.69 -38.87 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 25.6 m -132.21 152.1 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.473 ' HB3' ' CG ' ' A' ' 267' ' ' GLU . 6.9 tpt180 -131.81 118.65 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 309' ' ' ALA . 7.7 tt -54.61 134.37 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.208 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 94.57 -37.13 3.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 264' ' ' ARG . 8.8 mm-40 -64.6 144.04 98.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.71 20.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -89.56 131.64 10.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.71 26.18 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.66 ' CA ' HD11 ' A' ' 301' ' ' LEU . 0.0 OUTLIER -171.95 155.94 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.686 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.5 mmm -104.54 166.12 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' A' ' 262' ' ' ILE . 47.5 m-85 -141.17 138.61 33.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 6.7 m-85 -138.8 124.73 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.683 HG23 ' HE1' ' A' ' 296' ' ' PHE . 87.9 t -73.56 130.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.695 HG21 HD23 ' A' ' 320' ' ' LEU . 45.8 t -105.79 -42.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -148.69 130.98 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.686 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 105.9 -165.19 13.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.436 ' O ' HG11 ' A' ' 317' ' ' VAL . 11.9 m -136.79 159.38 42.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . 0.751 HG13 ' HB2' ' A' ' 290' ' ' LEU . 2.4 p -133.22 152.28 35.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.29 135.29 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.889 HG12 ' CG2' ' A' ' 284' ' ' THR . 60.9 t -77.05 145.56 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.377 1.048 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.737 ' C ' HG22 ' A' ' 284' ' ' THR . . . -90.75 94.36 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.889 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -170.16 176.75 1.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.3 Cg_endo -74.96 -26.17 11.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 2.8 t-20 -134.99 60.27 39.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.4 Cg_endo -75.01 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 7.2 t -153.21 163.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 18.2 tt0 -101.66 116.5 32.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.751 ' HB2' HG13 ' A' ' 280' ' ' VAL . 24.8 mt -99.51 153.97 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.43 -163.99 11.64 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.505 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.1 Cg_endo -75.06 140.33 25.17 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.407 1.74 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.92 19.47 39.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -116.64 151.28 36.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 5.0 p90 -128.63 145.47 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.683 ' HE1' HG23 ' A' ' 275' ' ' VAL . 5.2 p90 -150.37 160.51 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . . . . . . . . . . . 83.29 34.06 21.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.592 1.182 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.741 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -103.58 -20.47 14.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -39.25 84.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -72.67 -42.58 64.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.686 HD12 ' HG2' ' A' ' 272' ' ' MET . 82.9 mt -76.93 -7.87 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.977 HD13 ' HB2' ' A' ' 345' ' ' ALA . 1.1 mt -85.75 -39.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.19 -53.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 137.04 -8.15 3.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.99 160.26 4.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.385 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.4 Cg_endo -74.95 153.52 42.1 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.48 ' NE ' " O5'" ' A' ' 370' ' ' CMP . 2.2 mmp_? -35.72 127.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.667 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 1.9 p -73.23 -23.2 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . 0.87 ' HA ' HD12 ' A' ' 265' ' ' ILE . . . -163.51 161.61 24.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 96.9 m -84.61 136.86 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.26 130.91 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.0 p -137.68 129.42 28.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.48 116.92 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.54 80.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.854 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.1 t -145.88 -179.77 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.4 m -65.71 104.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.686 HG12 ' HA3' ' A' ' 278' ' ' GLY . 7.4 m -130.25 144.91 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.454 ' C ' HD13 ' A' ' 319' ' ' LEU . 0.3 OUTLIER -101.4 121.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -123.06 165.42 16.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.979 ' CD2' HD23 ' A' ' 229' ' ' LEU . 3.5 mm? -101.83 152.39 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.3 131.69 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 330' ' ' LEU . 16.8 tp -123.17 142.57 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.74 153.4 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 98.9 p -64.3 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.54 69.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 250' ' ' ALA . 0.1 OUTLIER -75.47 -33.55 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.686 ' HA ' HD23 ' A' ' 330' ' ' LEU . 42.4 t80 -69.02 -38.79 79.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.0 -29.38 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -74.71 -34.96 62.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.692 ' CD1' HG21 ' A' ' 337' ' ' ILE . 0.7 OUTLIER -75.74 -34.6 60.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 66.9 m -70.52 -35.76 73.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -28.97 62.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -32.24 63.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.837 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.6 OUTLIER -133.9 116.63 13.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.48 19.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -34.34 59.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.226 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' A' ' 334' ' ' SER . 18.7 mt -68.96 -32.63 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.38 68.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.6 1.188 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.41 -32.57 60.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -31.79 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.532 ' CZ ' ' CE2' ' A' ' 327' ' ' PHE . 0.7 OUTLIER -73.06 -42.51 63.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 342' ' ' ARG . 0.0 OUTLIER -63.96 -30.35 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 346' ' ' LEU . 4.0 mtpm? -71.68 -37.83 70.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.979 HG22 ' HD3' ' A' ' 348' ' ' ARG . 32.4 m -78.62 -33.03 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.27 -32.46 73.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.909 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.4 OUTLIER -71.31 -39.66 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.927 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 75.9 mt-10 -74.54 -35.29 63.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.979 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.6 OUTLIER -71.84 -45.11 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 1.5 ptm180 -70.73 -42.92 69.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . -152.08 -127.64 1.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.576 1.172 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.927 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 57.03 25.79 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 0.816 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.411 ' HB1' ' C ' ' A' ' 355' ' ' ALA . . . -42.28 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 351' ' ' ALA . . . -58.56 -73.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 36.0 t -85.88 -62.89 1.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.411 ' C ' ' HB1' ' A' ' 352' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.609 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 30.3 t -57.29 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 60.99 113.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.236 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -167.18 61.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.88 -41.27 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.7 50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER 43.79 58.98 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -104.94 -36.0 3.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.72 -35.28 60.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' PHE . . . . . 0.576 ' CE1' ' CD1' ' A' ' 227' ' ' TRP . 38.1 t80 -68.61 -31.76 71.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 220' ' ' ARG . 53.7 t -71.22 -42.49 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.667 ' O ' HD13 ' A' ' 229' ' ' LEU . 1.6 ttt180 -67.92 -34.55 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -70.24 -30.94 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' TRP . . . . . 0.663 ' CH2' HD22 ' A' ' 244' ' ' LEU . 0.0 OUTLIER -63.63 -39.24 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.5 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 225' ' ' ARG . 8.4 mp -68.34 -38.9 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 1.062 HG11 HD21 ' A' ' 244' ' ' LEU . 41.5 t -71.4 -26.61 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.53 62.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.22 59.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 236' ' ' PHE . 3.5 t -119.72 113.93 34.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' LEU . . . . . 0.588 ' CD1' HG23 ' A' ' 337' ' ' ILE . 0.2 OUTLIER -56.31 -37.59 70.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 235' ' ' LEU . 22.9 m-85 -80.2 -18.88 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -74.93 -16.63 60.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -77.86 -0.52 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 330' ' ' LEU . 15.3 mt -97.73 155.62 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' GLY . . . . . . . . . . . . . . . -65.16 -175.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 245' ' ' VAL . 18.4 Cg_endo -74.98 -42.1 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.589 1.836 . . . . 0.0 111.04 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -78.89 -26.79 43.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 43.7 t -78.12 -50.21 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . 1.062 HD21 HG11 ' A' ' 230' ' ' VAL . 1.3 tt -64.03 -33.11 75.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 241' ' ' PRO . 10.3 t -72.17 -36.18 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.41 -28.93 46.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.635 HD12 ' OD2' ' A' ' 326' ' ' ASP . 1.2 tp -78.19 -29.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.033 HG22 HG21 ' A' ' 230' ' ' VAL . 3.3 t -72.34 -42.24 65.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -15.11 59.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' ALA . . . . . 0.433 ' HB3' ' OD2' ' A' ' 326' ' ' ASP . . . -88.62 -35.03 17.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 251' ' ' LEU . 3.2 pp -80.61 153.8 27.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 128.22 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 320' ' ' LEU . . . -82.61 122.57 28.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' ARG . . . . . 0.625 ' O ' HD12 ' A' ' 319' ' ' LEU . 0.0 OUTLIER -139.43 133.38 30.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.349 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 318' ' ' SER . 13.7 m -98.01 139.6 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 0.0 OUTLIER -114.77 130.09 24.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 260' ' ' ALA . 18.5 Cg_endo -74.93 153.57 42.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.562 1.822 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 315' ' ' THR . . . -50.07 132.21 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . 90.49 -6.23 82.32 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 257' ' ' PRO . . . -73.85 122.14 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . 71.1 t -72.93 117.64 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.856 HD11 ' HB2' ' A' ' 313' ' ' ALA . 21.7 mt -94.64 -42.45 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . 0.48 ' HB3' ' CD ' ' A' ' 307' ' ' ARG . 8.4 m -132.74 155.87 48.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.58 ' HA ' HG23 ' A' ' 310' ' ' THR . 3.2 tpt180 -131.64 118.43 20.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' ILE . . . . . 0.569 HG22 ' OG1' ' A' ' 310' ' ' THR . 7.8 tt -54.98 138.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' GLY . . . . . . . . . . . . . . . 91.26 -40.4 2.97 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.04 145.68 99.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.2 29.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.594 1.839 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . . . . . . . . . . . -92.56 129.59 9.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.423 ' HA ' HD21 ' A' ' 301' ' ' LEU . 15.0 m-20 -137.55 26.25 2.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . 0.7 ' C ' HD11 ' A' ' 301' ' ' LEU . 0.7 OUTLIER -171.45 152.37 3.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' MET . . . . . 0.743 ' HG2' HD12 ' A' ' 301' ' ' LEU . 7.1 mmm -104.08 161.12 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' PHE . . . . . 0.715 ' CE2' HG23 ' A' ' 262' ' ' ILE . 43.1 m-85 -136.85 141.61 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 272' ' ' MET . 25.1 m-85 -139.52 125.83 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 292' ' ' PRO . 69.3 t -78.44 130.66 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' VAL . . . . . 0.469 HG11 ' HG ' ' A' ' 229' ' ' LEU . 96.5 t -105.14 -50.0 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -144.5 130.81 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' GLY . . . . . 0.679 ' HA3' HG12 ' A' ' 317' ' ' VAL . . . 111.22 -169.3 13.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 317' ' ' VAL . 19.2 m -131.17 160.21 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.66 157.59 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 29.4 p -126.38 132.21 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' VAL . . . . . 0.9 HG12 ' CG2' ' A' ' 284' ' ' THR . 61.2 t -79.15 144.17 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . 0.796 ' HB3' ' HB ' ' A' ' 310' ' ' THR . . . -90.7 95.09 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . 0.9 ' CG2' HG12 ' A' ' 282' ' ' VAL . 0.1 OUTLIER -171.21 176.08 1.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' PRO . . . . . 0.446 ' HD2' ' OG1' ' A' ' 284' ' ' THR . 18.4 Cg_endo -74.96 -25.83 11.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.491 ' N ' ' HD3' ' A' ' 287' ' ' PRO . 25.8 m-20 -135.07 60.53 40.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' PRO . . . . . 0.57 ' HB3' HG23 ' A' ' 284' ' ' THR . 18.2 Cg_endo -75.02 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 289' ' ' GLU . 12.1 t -153.23 164.43 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLU . . . . . 0.494 ' N ' ' CG1' ' A' ' 288' ' ' VAL . 23.6 tt0 -98.11 119.66 37.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 279' ' ' SER . 33.3 mt -96.06 152.39 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' GLY . . . . . . . . . . . . . . . -126.78 -173.2 13.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 275' ' ' VAL . 18.3 Cg_endo -74.99 141.18 26.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' GLY . . . . . . . . . . . . . . . 91.42 21.0 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' ALA . . . . . . . . . . . . . . . -120.99 148.6 43.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' PHE . . . . . 0.503 ' CD1' ' N ' ' A' ' 295' ' ' PHE . 0.8 OUTLIER -122.61 146.27 47.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' PHE . . . . . 0.71 ' HE1' HG23 ' A' ' 275' ' ' VAL . 22.4 p90 -149.77 160.95 43.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' GLY . . . . . 0.449 ' CA ' ' NH2' ' A' ' 307' ' ' ARG . . . 80.91 34.25 27.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 302' ' ' ILE . 1.2 pm0 -104.49 -20.22 13.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 0.733 . . . . 0.0 110.232 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 349' ' ' ARG . 0.4 OUTLIER -59.75 -37.3 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 304' ' ' GLY . . . -74.1 -45.01 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.743 HD12 ' HG2' ' A' ' 272' ' ' MET . 97.2 mt -75.74 -9.49 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . 0.915 HD13 ' HB2' ' A' ' 345' ' ' ALA . 7.8 mt -85.87 -40.12 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.88 -57.61 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 300' ' ' ALA . . . 138.34 -8.9 3.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 161.38 2.77 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 307' ' ' ARG . 18.1 Cg_endo -75.03 148.59 35.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . 0.48 ' CD ' ' HB3' ' A' ' 263' ' ' CYS . 1.6 mmp_? -34.61 130.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' SER . . . . . 0.625 ' OG ' " H3'" ' A' ' 370' ' ' CMP . 2.6 p -73.69 -26.7 60.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' ALA . . . . . . . . . . . . . . . -164.29 162.58 22.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' THR . . . . . 0.796 ' HB ' ' HB3' ' A' ' 283' ' ' ALA . 59.6 m -85.07 137.11 33.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' VAL . . . . . . . . . . . . . 12.4 t -115.89 130.87 69.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 60.7 p -137.11 129.28 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.856 ' HB2' HD11 ' A' ' 262' ' ' ILE . . . -68.53 116.47 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.75 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' THR . . . . . 0.834 ' HA ' ' HB2' ' A' ' 258' ' ' ALA . 15.4 t -146.72 -180.0 7.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 2.5 m -66.39 104.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' VAL . . . . . 0.679 HG12 ' HA3' ' A' ' 278' ' ' GLY . 4.9 m -129.47 137.44 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 255' ' ' THR . 1.1 t -89.46 128.05 35.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 254' ' ' ARG . 0.6 OUTLIER -133.72 165.94 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 253' ' ' ALA . 1.5 mt -110.07 153.28 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' SER . . . . . . . . . . . . . 99.1 p -118.53 137.27 53.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 1.5 tp -127.52 124.09 37.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -60.73 153.18 24.84 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.549 ' HB2' HD22 ' A' ' 301' ' ' LEU . 26.5 p -68.7 -31.48 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -71.52 -35.69 70.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . 0.635 ' OD2' HD12 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -75.56 -28.68 59.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.236 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' PHE . . . . . 0.819 ' HA ' HD23 ' A' ' 330' ' ' LEU . 16.7 t80 -70.71 -35.53 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -30.79 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 13.3 ttp -77.36 -32.82 55.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' A' ' 327' ' ' PHE . 0.3 OUTLIER -75.62 -32.98 60.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.65 -32.0 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.41 -29.0 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 64.3 m -68.74 -37.31 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.582 1.176 . . . . 0.0 109.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' SER . . . . . 0.644 ' CB ' HD12 ' A' ' 337' ' ' ILE . 0.4 OUTLIER -139.76 117.8 8.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -9.58 20.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -38.11 42.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.644 HD12 ' CB ' ' A' ' 334' ' ' SER . 16.3 mt -66.81 -32.72 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -71.74 -32.79 68.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -32.52 59.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.565 ' CE2' ' CE2' ' A' ' 327' ' ' PHE . 0.6 OUTLIER -72.01 -42.14 66.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 343' ' ' LYS . 0.6 OUTLIER -64.27 -28.71 69.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 342' ' ' ARG . 6.8 mmmt -70.29 -38.7 75.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.894 HG22 ' HD3' ' A' ' 348' ' ' ARG . 25.4 m -79.24 -31.1 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.409 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ALA . . . . . 0.915 ' HB2' HD13 ' A' ' 302' ' ' ILE . . . -66.79 -38.83 87.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . 0.698 HD12 ' HB2' ' A' ' 351' ' ' ALA . 0.5 OUTLIER -71.26 -38.12 71.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.806 ' HA ' ' HB3' ' A' ' 351' ' ' ALA . 8.2 mt-10 -72.47 -36.52 68.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' ARG . . . . . 0.894 ' HD3' HG22 ' A' ' 344' ' ' THR . 0.8 OUTLIER -73.23 -45.25 57.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 110.334 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 350' ' ' GLY . 28.6 ptt180 -67.14 -42.71 83.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 349' ' ' ARG . . . 167.92 123.89 0.69 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . 0.806 ' HB3' ' HA ' ' A' ' 347' ' ' GLU . . . 176.01 -77.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 354' ' ' SER . . . -109.5 81.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -50.79 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 352' ' ' ALA . 29.0 t 63.88 107.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' CMP . . . . . 1.596 ' C2 ' ' H2 ' ' A' ' 370' ' ' CMP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_